Application – Page 205

2-Butanone oxime

Published by BDMAEE on 2024-05-15 | Permalink

2-Butanone oxime structural formula

Structural formula

Business number	02AW
Molecular formula	C4H9NO
Molecular weight	87.12
label	2-Butanone oxime, Butanone oxime, Methyl ethyl ketone oxime, Methyl ethyl ketoxime, Methyl ethyl ketone fat, A and B copper oxime, 2-Butanone oxime, MEKO, deoxidizer, Anti-skinning agent

Numbering system

CAS number:96-29-7

MDL number:MFCD00013935

EINECS number:202-496-6

RTECS number:EL9275000

BRN number:1698241

PubChem number:24860083

Physical property data

1. Properties: colorless oily liquid.

2. Density (g/mL, 25/4℃): 0.9232

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): -29.5

5. Boiling point (ºC, normal pressure): 152～153

6. Boiling point (ºC, 5.2kPa): Not available Determined

7. Refractive index: 1.4410

8. Flash point (ºC): 60

9. Specific rotation (º): Undetermined

p>

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V /V): 50

18. Lower explosion limit (%, V/V): 3.1

19. Solubility: miscible with ethanol and ether, soluble in 10 parts of water .

Toxicological data

1. Skin/eye irritation

Standard Draize test: rabbit, eye contact: 100μL, severity of reaction: severe.

1. Acute toxicity: Rat oral LD50: 930mg/kg; Rat inhalation LD50: >50mg/m³/4H; Rat skin contact LD: >2mg/kg; rat subcutaneous LD50: 2702mg/kg; mouse intraperitoneal LD50: 200mg/kg; rabbit dermal LD50: 200μg/kg;

2. Other multiple dose toxicity: large Rat oral TDLo: 6825mg/kg/13W-I; rat inhalation TCLo: 400ppm/6H/4W-I; rat inhalation TCLo: 1000ppm/6H/8W-I; rat subcutaneous TDLo: 14mL/kg/4W-I; TCLo by inhalation in mice: 400ppm/6H/4W-I; TCLo by inhalation in mice: 1000ppm/6H/8W-I;

4. Chronic toxicity/carcinogenicity

Rat inhaled TCLo: 75ppm/6H/26W-I;

5. Mutagenicity

Mouse lymphocyte mutation: 4600mg/L;

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 24.51

2. Molar volume (cm³/mol): 96.5

3. Isotonic specific volume (90.2K ): 219.1

4. Surface tension (dyne/cm): 26.5

5. Polarizability (10-24cm3): 9.71

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 0.7

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 2

6. Topological molecular polar surface area (TPSA): 32.6

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 58.6

10. Number of isotope atoms : 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the chemical bond configuration Number of centers: 1

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with acids and oxides.

Storage method

1. Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Keep container tightly sealed. should be kept away from oxidizer, do not store together.

2. Equip with corresponding varieties and quantities of fire-fighting equipment. The storage area should be equipped with emergency spill treatment equipment and suitable containment materials.

Synthesis method

1. Obtained from the reaction of methyl ethyl ketone and hydroxylamine hydrochloride. It can also be reacted with hydroxylamine sulfate. 2. It is prepared by reacting methyl ethyl ketone, ammonium hydronitride and sulfuric acid as raw materials. The reaction formula is as follows:

Purpose

1. Mainly used as anti-skinning agent and silicone curing agent for alkyd resin coatings. This product is used as an antioxidant to prevent skin formation and is more effective than butyraldehyde oxime and cyclohexanone oxime. 2.Used as deoxidizer in boiler water system. Used as anti-skinning agent and silicone curing agent for alkyd resin coatings.

Fenthion

Published by BDMAEE on 2024-05-15 | Permalink

Fenthion structural formula

Structural formula

Business number	016T
Molecular formula	C10H15O3PS2
Molecular weight	278.33
label	O,O-dimethyl-O-[3-methyl-4-(methylthio)phenyl]-phosphorothioate, O,O-Dimethyl-O-[3-methyl-4-(methylthio)phenyl]phosphorothioate, Baycid, Lebaycid, Phenthion Tiguvon, Bai Zhi Tu, fenthion, timesex, fenxapine, Organophosphorus pesticides

Numbering system

CAS number:55-38-9

MDL number:MFCD00055449

EINECS number:200-231-9

RTECS number:TF9625000

BRN number:1974129

PubChem number:24862533

Physical property data

1. Properties: brown liquid. Slightly smell of garlic.

2. Density (g/mL, 25/4℃): 1.250

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 319

5. Boiling point (ºC, normal pressure): 87

6. Boiling point (ºC, 5.2kPa): Undetermined

p>

7. Refractive index: 1.5698

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor pressure (kPa , 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15 . Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) distribution coefficient: Undetermined

17. Explosion upper limit (%, V/V ): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Easily soluble in methanol, ethanol, ether, acetone and various Other organic solvents, almost soluble in water (55mg/L)

Toxicological data

Toxic acute exposure of male rats to LD50 is 215 mg/kg, and that of female rats is 24Jmg/kg. The acute transdermal LD50 in rats is 330-SOOmg/kg. The maximum allowable dose in the 60-day feeding test in rats was 10 mg/kg. Feeding dogs at a dose of 50 mg/kg for 1 year had no effect on their body weight and food intake. The LC50 for fish is about 1 mg/L (48h). For bees, parasitoids, aphids, etc.The insect is highly poisonous.

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 72.23

2. Molar volume (cm³/mol): 221.8

3. Isotonic specific volume (90.2K): 586.5

4. Surface tension (dyne/cm): 48.8

5. Polarizability (10^-24cm³): 28.63

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 85.1

7. Number of heavy atoms: 16

8. Surface charge: 0

9. Complexity: 254

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Yi Luo is drunk in A, B, Jia, and Er. Toluene, acetone, chlorinated hydrocarbons, fatty oils and other organic solvents are difficult to dissolve in petroleum ether, and their hydrolysis degree in water is 54 – 56mg/L. Industrial products are brown in color and have a special odor. It is relatively stable to light and heat, and is more stable than methyl parathion when hydrolyzed in acidic or alkaline media. At 100′, in pH value 1.8~5 medium, the hydrolysis half-life is 36h, in pH value 11 medium, the hydrolysis half-life is 95min. Hydrogen or potassium permanganate can oxidize the thioether chain to generate the corresponding subsulfa and sulfa compounds.

Storage method

This product should be sealed and stored in a cool place.

Synthesis method

The intermediate p-methylthio m-cresol is prepared by reacting m-cresol with dimethyl disulfide, and then reacted with O, O-dimethylthiophosphoryl chloride to obtain fenthion.
1. Preparation of p-methylthio m-cresol. Mix m-cresol (or mixed cresol) and dimethyl disulfide at a ratio of 2:1 (weight ratio), add to the reaction pot, stir and cool to 10- 15℃, start adding concentrated sulfuric acid dropwise. Complete the dripping in about 1 hour (the amount is equal to the weight of dimethyl disulfide), and continue the reaction at 10-15°C for 3 hours. Let stand and separate into layers, discarding the waste acid in the lower layer. The organic layer was neutralized with 10% sodium carbonate solution, and then washed with water at pH 7-8. Recover unreacted dimethyl disulfide and cresol through vacuum distillation, and the remaining material is the intermediate p-methylthio-m-cresol.
2. Preparation of fenthion Add 20% sodium hydroxide solution to the reaction pot, stir and cool to below 25°C, add the intermediate prepared above, and then add O, O- evenly at 10-20°C Dimethyl thiophosphoryl chloride should be dripped in about 30-40 minutes. The molar ratio of the three materials is 1.3:1:1.2. Slowly raise the temperature to 60°C and keep it warm for 2 hours. Check the pH changes during the reaction. When the pH is <9, sodium hydroxide solution should be added. After the reaction is completed, the temperature is lowered to 45°C, washed with sodium hydroxide solution, then washed with water, and left to stand for layering. The lower organic layer was removed and dehydrated under reduced pressure, cooled, and filtered to obtain fenthion crude oil with a content of 90% and a yield of 90%.

Purpose

1. Pesticides, insecticides, acaricides. Cholinesterase inhibitors. Organic Synthesis. Fenthion is an organophosphorus insecticide with low toxicity to humans and livestock. It is effective against a variety of pests. It mainly acts as a stomach poison for contact killing. It has a long residual effect. It is not as effective against mites as methyl parathion. It is mainly used for prevention and control. It has good effect on soybean borers, cotton pests, fruit tree pests, vegetable and rice pests, and is used to control mosquitoes, flies, bedbugs, lice, and cockroaches. 2.A broad-spectrum, fast-acting, toxic organophosphorus insecticide that is also effective against mites. It has contact and stomach poisoning effects, strong permeability, certain systemic effects, and long residual effect. It can be used to control rice, cotton, fruit trees, soybeans and other crops to control stem borer, stem borer, rice leafhopper, rice bractworm, rice leafroller, pink bollworm, cotton bollworm, cotton aphid, cabbage caterpillar, and vegetable aphids. , fruit tree borers, scale insects, citrus rust ticks, web bugs, tea poisonous moths, tea green leafhoppers, soybean borers and sanitary pests. For example, to control rice pests, cotton bollworm and pink bollworm, use 50%, EC 11.3~15m Work_/100m² Spray water; to control cotton spider mites, cotton aphids, vegetable aphids, vegetable aphids and other pests, use 50%, EC 7.5～11 .3mL/100mL/m² Spray with water; to control cotton spider mites, cotton aphids, cabbage aphids, vegetable aphids and other pests, use 50 “/t, EC 7.5~11 .3mL/100mL/m² Spray with water; to control large heartworms, use 50%, EC 7.5～11.3mL/100mL/m^2, Spray with water, the effect is 80 0/t, or above, or use 3%, Powder, 225~300kg/100² spray powder; 50 for controlling citrus rust tick and clam weevil, EC Sichuan Yin Liquid spray

3-Hydroxy-N-(2-hydroxyethyl)-2-naphthylcarboxamide

Published by BDMAEE on 2024-05-15 | Permalink

3-hydroxy-N-(2-hydroxyethyl)-2-naphthylcarboxamide structural formula

Structural formula

Business number	0258
Molecular formula	C13H13NO3
Molecular weight	231.25
label	2-Hydroxy-3-[(2-hydroxyethyl)carbamoyl]naphthalene spheres, 2-Hydroxy-3-[(2-hydroxyethyl)carbamoyl]naphthalene

Numbering system

CAS number:92-80-8

MDL number:None

EINECS number:202-191-8

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Properties: light yellow to light yellow brown crystals or crystalline powder

2. Density (g/mL, 25/4℃): Undetermined

3. Relative Vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 146

5. Boiling point (ºC, normal pressure): Undetermined

p>

6. Boiling point (ºC, 5.2kPa): Not determined

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

p>

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa , 25ºC): Undetermined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient : Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Slightly soluble in water, soluble in ethanol, acetone

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 65.76

2. Molar volume (cm³/mol): 176.3

3. Isotonic specific volume (90.2K ): 495.7

4. Surface tension (dyne/cm): 62.4

5. Polarizability (10-24cm3): 26.07

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 9

6. Topological molecule polar surface area 69.6

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 269

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Uncertain Chemistry�Number of stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be sealed and stored in a cool, dry place.

Synthesis method

None

Purpose

Organic Synthesis.

3-Mercapto-1,2-propanediol

Published by BDMAEE on 2024-05-15 | Permalink

3-mercapto-1,2-propanediol structural formula

Structural formula

Business number	02AV
Molecular formula	C3H8O2S
Molecular weight	108.16
label	α-monothioglycerol, α-thioglycerol, 3-Mercapto-1,2-propanediol, α-Monothioglycerol, α-Thioglycerol, 3-Mercapto-1,2-propanediol

Numbering system

CAS number:96-27-5

MDL number:MFCD00004879

EINECS number:202-495-0

RTECS number:TY8140000

BRN number:1732046

PubChem number:24896684

Physical property data

1. Characteristics: Colorless to light yellow transparent viscous liquid with strong hygroscopicity and sulfur smell.

2. Density (g/mL,20℃):1.24

3. Relative vapor density (g/mL,Air=1): Undetermined

4. Melting point (ºC): Undetermined

5. Boiling point (ºC,normal pressure):118

6. Boiling point (ºC, kPa): Not determined

7. Refractive index:1.527

8. Flashpoint (ºC): 149

9. Bi XuanPhotometric (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg,ºC): Undetermined

12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Log value of the partition coefficient (water): undetermined

17. Explosion upper limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility:Insoluble in ether, soluble in water, ethanol and acetone.

Toxicological data

1. Acute toxicity: rat intraperitoneal LD50: 390mg/kg; Mouse intraperitoneal LD50: 340mg/kg; Cat intraperitoneal LD50 : 220mg/kg; rabbit intraperitoneally LD50: 250mg/kg;

2, and many others Dose toxicity: Rat skin contact TDLo: 12mg/kg/4W-I;

3, reproductive toxicity

Hamster subcutaneous TDLo: 1925mg/kg ( Male rats 35 days ago to mate);

4、 Mutagenicity

E. coli mutation experiment: 2000ppm;

Ecological data

This substance is slightly harmful to water.

Molecular structure data

1. Molar refractive index: 26.87

2. Molar volume（m³/ mol）：87.4

3. isotonic ratio（90.2K）：234.2

4. surface tension(dyne/cm)：51.3

5. Dielectric constant:

6. Dipole moment（10 ^-24cm³)：

7. Polarizability:10.65

Compute chemical data

1. Reference value for calculation of hydrophobic parameters (XlogP): -0.8

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 3

p>

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 41.5

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 32

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

AvoidContact air, avoid using Strong oxidizing agent, waterContact.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire, heat and water sources. Keep container tightly sealed. should be kept away from oxidizer, do not store together. Equipped with corresponding varietiesand quantity of fire-fighting equipment. The storage area should be equipped with emergency spill treatment equipment and suitable containment materials.

Synthesis method

None

Purpose

Used as stabilizer and polymerization regulator for acrylonitrile polymers; modifier for reactive fuels; sensitizer raw material for photosensitive coatings; polymerization regulator for epoxy resin coatings; environmental protection Catalyst for oxyamine resin; stabilizer for chlorine-containing polymers, etc.

isonicotinic acid

Published by BDMAEE on 2024-05-15 | Permalink

Isonicotinic acid structural formula

Structural formula

Business number	016S
Molecular formula	C6H5NO2
Molecular weight	123
label	Heterocyclic compounds

Numbering system

CAS number:55-22-1

MDL number:MFCD00006429

EINECS number:200-228-2

RTECS number:NS1103000

BRN number:109599

PubChem number:24881074

Physical property data

1. Properties: White flaky crystals. Odorless. Can sublime (260℃, 2.00kPa).

2. Density (g/mL, 25/4℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 319

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor Pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Slightly soluble in cold water, more soluble in heat Water, almost insoluble in benzene, ether and boiling ethanol.

Toxicological data

1. Acute toxicity: rat oral LD50: 5mg/kg; mouse oral LD50: 3123mg/kg; mouse abdominal LD50: 436mg/kg; mouse intravenous LD50: 5mg/kg

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 31.27

2. Molar volume (cm³/mol): 95.1

3. Isotonic specific volume (90.2K): 263.5

4. Surface tension (dyne/cm): 58.7

5. Polarizability (10^-24cm³): 12.39

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 0.4

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 50.2

7. HeavyNumber of atoms: 9

8, Surface charge: 0

9, Complexity: 108

10, Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Low toxicity, rats take LD505000mg/kg orally, mice take LD503123mg/kg orally.
　

Storage method

This product should be sealed and stored in a dry place below 0℃ and protected from light.

Packed in clean iron drums and stored in a cool, ventilated place. Store and transport according to general chemical regulations

Synthesis method

Use 4-methyl It is produced by continuous oxidation of pyridine as raw material and vanadium pentoxide as catalyst. The purity of industrial product isonicotinic acid is 95%, and the yield of the above method is 70-75% . Each ton of product consumes4-methylpyridine1070kg.

Purpose

This product is a pharmaceutical intermediate. Mainly used to prepare isoniazid (remifen).

4-Hydroxy-3-methoxymandelic acid

Published by BDMAEE on 2024-05-15 | Permalink

4-Hydroxy-3-methoxymandelic acid structural formula

Structural formula

Business number	016R
Molecular formula	C9H10O5
Molecular weight	198.17
label	3-methoxy-4-hydroxymandelic acid, α,4-Dihydroxy-3-methoxybenzeneacetic acid, Vanillomandelic acid, Vanillylmandelic acid, Vanilmandelic acid, VMA

Numbering system

CAS number:55-10-7

MDL number:MFCD00004235

EINECS number:200-224-0

RTECS number:None

BRN number:2213227

PubChem ID:None

Physical property data

1. Character:White scaly crystals or powder. It is easy to resinize when heated or exposed to air for a long time.

2. Density (g/mL,25/4℃): Undetermined

3. Relative vapor density (g/mL,AIR=1): Undetermined

4. Melting point (ºC):131~133℃(decomposition)

5. Boiling point (ºC,Normal pressure): Undetermined

6. Boiling point (ºC,5.2kPa): Undetermined

7. Refractive index: undetermined

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa,25ºC): Undetermined

12. Saturated vapor pressure (kPa,60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/ Log value of the partition coefficient (water): not determined

17. Explosion limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: Easily soluble in acetone and water, slightly soluble in ether and acetonitrile, slightly soluble in benzene.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index:47.46

2. Molar volume (m³/mol）：137.5

3. isotonic specific volume (90.2K):392.7

4. Surface Tension (dyne/cm):70.9

5. Polarizability（10^-24cm³):13.00

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): -0.2

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 3

6. Topological molecular polar surface area (TPSA):87

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 205

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. The number of uncertain atomic stereocenters: 1

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be sealed in0℃The following Store dry and away from light.

Synthesis methodLaw

None

Purpose

For biochemical research.

3,3′,5-triiodo-L-thyronine sodium salt

Published by BDMAEE on 2024-05-15 | Permalink

3,3',5-triiodo-L-thyronine sodium salt structural formula

Structural formula

Business number	016Q
Molecular formula	C15H12I3NO4Na
Molecular weight	672.96
label	Triiodothyronine sodium salt, Liothyronine, T3, O-(4-Hydroxy-3-iodophenyl)-3,5-diiodo-L-tyrosine sodium salt

Numbering system

CAS number:55-06-1

MDL number:MFCD00002594

EINECS number:200-223-5

RTECS number:None

BRN number:8179867

PubChem number:24889594

Physical property data

1. Character:Crystal.

2. Density (g/mL,25/4℃): Undetermined

3. Relative vapor density (g/mL,AIR=1): Undetermined

4. Melting point (ºC): Undetermined

5. Boiling point (ºC,Normal pressure): Undetermined

6. Boiling point (ºC,5.2kPa): Undetermined

7. Refractive Index: Undetermined

8. Flashpoint (ºC): 205

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa,25ºC): Undetermined

12. Saturation vapor pressure (kPa,60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Log value of partition coefficient (water): undetermined

17. Explosion upper limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: Undetermined.

Toxicological data

None

Ecological data

None

Molecular structure data

None

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP):

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: 3

6. Topological molecular polar surface area (TPSA):95.6

7. Number of heavy atoms: 24

8. Surface charge: 0

9. Complexity: 408

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 1

12. The number of uncertain atomic stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 2

Properties and stability

None

Storage method

This product should be sealed in0℃Save in a dry place and away from light.

Synthesis method

None

Purpose

Biochemical research. Tissue culture media.

dihydroxyacetone

Published by BDMAEE on 2024-05-14 | Permalink

Dihydroxyacetone structural formula

Structural formula

Business number	02AU
Molecular formula	C3H6O3
Molecular weight	90.08
label	1,3-dihydroxy-2-propanone, Propane-1,3-diol-2-one, 1,3-Dihydroxy-2-propanon, 1,3-Dihydroxydimethylketone

Numbering system

CAS number:96-26-4

MDL number:None

EINECS number:202-494-5

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Appearance: White powdery crystal with sweet taste

2. Density (g/mL, 25℃): Undetermined

3. Relative vapor density ( g/mL, air=1): Undetermined

4. Melting point (ºC): 75-80

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg,ºC ): Undetermined

12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined Determined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Easily soluble in organic solvents such as water, ethanol, ether and acetone

Toxicological data

1. Acute toxicity: Rat oral LDLo: 80mg/kg; Rat intraperitoneal LD50: 8750mg/kg; Rabbit intraperitoneal LD: >8mg/kg;

2. Mutagenicity

Mutation of Salmonella typhimurium: 100μg/plate;

Mutation of Salmonella typhimurium: 1mg/plate;

E. coli mutation: 3300μmol/L;

DNA repair of Bacillus subtilis: 2ppm

Ecological data

None

Molecular structure data

1. Molar refractive index: 19.04

2. Molar volume (cm³/mol): 70.1

3. Isotonic specific volume (90.2K ): 190.0

4. Surface tension (dyne/cm): 53.7

5. Polarizability (10-24cm3): 7.55

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -1.4

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 3

p>

4. Number of rotatable chemical bonds: 2

5.��Number of isomers: 3

6. Topological molecule polar surface area 57.5

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 44

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determined number of chemical bond stereocenters: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

Used in organic synthesis, biochemical research, substrate for galactose oxidase, and artificial tanning agent.

(±)-3-chloro-1,2-propanediol

Published by BDMAEE on 2024-05-14 | Permalink

(±)-3-chloro-1,2-propanediol structural formula

Structural formula

Business number	02AT
Molecular formula	C3H7ClO2
Molecular weight	110.54
label	α-chloropropanediol, α-Chloroglycerol, α-chloroglycerin, α-Chlorohydrin, α-Glycerol chlorohydrin, α-Monochlorohydrin, Solvents for cellulose acetate, etc., dye intermediates, alcohol compounds

Numbering system

CAS number:96-24-2

MDL number:MFCD00004712

EINECS number:202-492-4

RTECS number:TY4025000

BRN number:635684

PubChem number:24892264

Physical property data

1. Properties: colorless liquid, which gradually turns into a slightly greenish yellow liquid with a pleasant smell after being placed.

2. Relative density (g/mL, 20/4℃): 1.3204

3. Boiling point (ºC, decomposition): 213

4. Boiling point (ºC, 1.466kpa): 116

5. Melting point (ºC): -40

6. Refractive index (n20ºC): 1.4809

7. Viscosity (mPa·s, 20ºC): 159

8. Flash point (ºC, opening): 137.8

9. Heat of combustion (KJ/mol, 20ºC): 1680.6

10. Vapor pressure (kPa, 141ºC): 5.33

11. Vapor pressure (kPa, 113ºC): 1.33

12. Vapor pressure (kPa, 83ºC): 0.133

13. Liquid phase standard claims heat (enthalpy) (kJ·mol^-1): -525.3

14. Solubility: soluble in water , ethanol, ether and acetone. Slightly soluble in toluene, insoluble in benzene, petroleum ether and carbon tetrachloride.

Toxicological data

1. Acute toxicity: Rat oral LD50: 150mg/kg, mouse oral LD50: 150mg/kg, rat inhalation MLC is 125mg/m3

Ecological data

This substance is harmful to the environment, and special attention should be paid to the pollution of water bodies.

Molecular structure data

1. Molar refractive index: 23.82

2. Molar volume (cm³/mol): 84.8

3. Isotonic specific volume (90.2K ): 220.7

4. Surface tension (dyne/cm): 45.8

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 9.44

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -0.5

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

p>

4. Rotatable chemical bondsNumber: 2

5. Number of tautomers: None

6. Topological molecule polar surface area 40.5

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 32

10. Number of isotope atoms: 0

11. Determine the atoms Number of stereocenters: 0

12. Uncertain number of stereocenters of atoms: 1

13. Determined number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

1. Avoid exposure to light, moist air, and contact with strong oxidants and strong alkali. It is hygroscopic and will gradually turn yellow when exposed to light or left for a long time. Gradually decomposes into acid when exposed to moisture for a long time.

Chemical properties: 3-chloro-1,2-propanediol partially decomposes when heated to 140~142°C. Oxidation with concentrated nitric acid produces 3-chlorolactic acid. Oxidation with potassium periodate in dilute nitric acid solution produces chloroacetaldehyde. 3-Chloro-1,2-propanediol is dehydrochlorinated to form glycidol. When refluxing with water for a long time, it gradually hydrolyzes to form glycerin. Under the action of alkoxy metal compounds equivalent to primary alcohols, glycerol-α-alkyl ether is generated.

2. Exist in smoke.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. Keep container tightly sealed. They should be stored separately from oxidants, alkalis, and food chemicals, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

1. Obtained from chlorination of glycerin. Add glycerol and acetic acid to the reaction pot, stir and heat to 90-95°C, and pass dry hydrogen chloride gas until the weight of the reaction solution increases to 150% (theoretical value), which is the end point. Distill under reduced pressure to obtain crude product. Fractionate again and collect the 128-132°C (1.33-2.67kPa) fraction to obtain 3-chloro-1,2-propanediol.

2. From epichlorohydrin Derived from hydrolysis. Add epichlorohydrin into the reaction pot, stir, add dilute sulfuric acid to make the reaction solution acidic, raise the temperature, reflux for 1 hour, and distill the product under reduced pressure to obtain the finished product. Raw material consumption quota: epichlorohydrin (>95%) 1200kg/t, sulfuric acid 3kg/t.

Refining method: Refined by vacuum distillation .

3. Preparation method:

In a reaction bottle equipped with a stirrer, thermometer, dropping funnel, and reflux condenser, add 120 mL of water and 1 mL of concentrated sulfuric acid, add to 80°C, and slowly add epichlorohydrin ^① (2) 120g (1.3mol), after adding, continue to stir the reaction at 90°C for 1.5h to complete the reaction. Concentrate under reduced pressure to remove the water, and finally collect the fraction at 137-140°C/2.4kPa to obtain 100g of 3-chloro-1,2-propanediol, with a yield of 70%. Note: ① The hydrolysis of epichlorohydrin is an exothermic reaction, and the dripping speed should not be too fast, otherwise the reactants will rush out of the reaction bottle due to violent reactions. ^[1]

Purpose

It is used in organic synthesis, as an intermediate for drugs, as a solvent for cellulose acetate, etc., and for the preparation of plasticizers, surfactants, dyes, drugs, and glycerin derivatives. In addition, it can also be used to lower the freezing point of yellow explosives.

3,4-diaminopyridine

Published by BDMAEE on 2024-05-14 | Permalink

3,4-diaminopyridine structural formula

Structural formula

Business number	016P
Molecular formula	C5H7N3
Molecular weight	109.13
label	None

Numbering system

CAS number:54-96-6

MDL number:MFCD00006401

EINECS number:200-220-9

RTECS number:US7600000

BRN number:110232

PubChem number:24894084

Physical property data

1. Character:Colorless needle-like crystals. Sensitive to air.

2. Density (g/mL,25/4℃): Undetermined

3. Relative vapor density (g/mL,Air=1): Undetermined

4. Melting point (ºC): 218~219 -font-kerning: 0pt”>

5. Boiling point (ºC,Normal pressure): Undetermined

6. Boiling point (ºC, 1.60kPa): Undetermined.

7 . Refractive index: Undetermined

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa,25ºC): Undetermined

12. Saturated vapor pressure (kPa,60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Log value of partition coefficient (water): undetermined

17. Explosion limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility:Easily soluble in water and ethanol, slightly soluble in ether.

Toxicological data

1, acute toxicity: mouse abdominal cavity LD50: 20mg/kg; mouse subcutaneous LD50: 35mg/kg; mouse intravenousLD50: 13mg/kg; wild birds LD50: 75mg/kg

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 32.81

2. Molar volume (m³/mol）：87.2

3. isotonic specific volume (90.2K):253.0

4. Surface Tension (dyne/cm):70.9

5. Polarizability（10^-24cm³):13.00

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -0.5

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 3

p>

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 6

6. Topological molecule polar surface area 64.9

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 74.1

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be sealed and stored with argon gas.

Synthesis method

None

Purpose

Organic synthesis.