7,12-Dimethylbenzo[α]anthracene

7,12-dimethylbenzo[α]anthracene structural formula

Structural formula

Business number 0195
Molecular formula C20H16
Molecular weight 256.34
label

9,10-dimethyl-1.2benzanthracene,

Dimethylbenzanthracene,

1,4-Dimethyl-2,3-benzophenanthrene,

9,10-Dimethyl-1,2-benzanthracene,

Dimethylbenzanthrene,

Aromatic hydrocarbons

Numbering system

CAS number:57-97-6

MDL number:MFCD00003600

EINECS number:200-359-5

RTECS number:CW3850000

BRN number:1912135

PubChem number:24893738

Physical property data

1. Properties: Slightly yellow-green leaf-shaped crystals. It fluoresces blue-violet under ultraviolet light.

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

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

4. Melting point (ºC): 122~123

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 Determined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (kPa, 25ºC): Not determined

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: Easily soluble in benzene, soluble in acetone , slightly soluble in ethanol, insoluble in water.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 89.43

2. Molar volume (cm3/mol): 224.3

3. Isotonic specific volume (90.2K): 594.0

4. Surface tension (dyne/cm): 49.1

5. Dielectric constant (F/m): 3.13

6. Polarizability (10-24cm3): 35.45

Compute chemical data

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

2. Hydrogen bond supplyNumber of ��: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 0

5. Tautomers Number: None

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 346

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 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. Exist in smoke.

2. It is carcinogenic.

Storage method

This product should be kept sealed.

Synthesis method

1. From 9,10-dimethyl-9,10-dihydroxy-9,10-dihydro-1,2-benzanthracene or 9,10-dimethyl-9,10-dimethoxy- Preparation from 9,10-dihydro-1,2-benzanthracene or 9-methyl-1,2-benzanthracene-10-one.

Purpose

For cancer research. Dye manufacturing. ​​

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2-thiophene formaldehyde

2-thiophene formaldehyde structural formula

Structural formula

Business number 02D4
Molecular formula C5H4OS
Molecular weight 112.15
label

Thiophene-2-carbaldehyde,

2-thiophenal,

2-Thenaldehyde,

2-Thiophenaldehyde,

2-Thiophenealdehyde,

2-Thiophenecarbaldehyde,

2-Thiophenecarboxaldehyde,

2-Formyl thiophene,

Akosbbs-00003201,

thenaldehyde,

Heterocyclic compounds

Numbering system

CAS number:98-03-3

MDL number:MFCD00005429

EINECS number:202-629-8

RTECS number:XM8135000

BRN number:105819

PubChem number:24900117

Physical property data

1. Properties: light yellow liquid.

2. Density (g/mL, 25℃): 1.22

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

4. Melting point (ºC): Undetermined

5. Boiling point (ºC, normal pressure): 196-198

6. Boiling point (ºC, kPa): Undetermined

p>

7. Refractive index: 1.591

8. Flash point (ºC): 78

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (mmHg, 55ºC): Not determined

12. Saturated vapor pressure (kPa, 25 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) distribution coefficient: Undetermined

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

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

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

Toxicological data

1. Skin/eye irritation: Standard Dresser test: rabbit skin contact, 500mg/24 HREACTION SEVERITY, mild reaction; Standard Dresser test: rabbit eye contact, 100 mgREACTION SEVERITY, moderate reaction; 2. Acute toxicity: rats Oral LD50: 915mg/kg; Mouse oral LD50: 565mg/kg; Guinea pig skin contact LD50: >10mL/kg;

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 31.39

2. Molar volume (cm3/mol): 90.5

3. Isotonic specific volume (90.2K ): 235.49

4. Surface tension (dyne/cm): 45.6

5. Dielectric constant:

6. Dipole moment (10-24cm3):

7. Polarizability: 12.44

Compute chemical data

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

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 17.1

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 72.5

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 Number: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Does not decompose under normal temperature and pressure. Avoid contact with oxidants, reducing agents, alkalis, and air.

Toxic, please refer to thiophene for its toxicity and protection methods.

Storage method

1. Store in a cool, ventilated warehouse. Keep away from fire and heat sources. They should be stored separately from oxidants and alkalis, and avoid mixed storage. Store away from air. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials. 2. Use glass bottles or polyethylene plastic barrels for sealed packaging and protect with nitrogen to prevent oxidation. Store in a cool, ventilated and dry place. Sun protection, waterproof, protection against bumps and inversions. Store and transport according to regulations on toxic chemicals.

Synthesis method

It is obtained by condensation of thiophene and dimethylformamide in the presence of phosphorus oxychloride, followed by hydrolysis, neutralization and refinement. Add thiophene and dimethylformamide into the reaction pot, slowly add phosphorus oxychloride below 15°C, gradually raise the temperature to 80-90°C, keep it for 3 hours, cool to 30°C, and add ice water for hydrolysis. Then neutralize with 30% sodium oxyoxide, let stand and separate into layers. The water layer is extracted with carbon tetrachloride. The extract is washed and dehydrated, the solvent is recovered, and distilled under reduced pressure to obtain 2-thiophene aldehyde.

Purpose

It is used as an intermediate for the broad-spectrum anthelmintic drug pyrantel and the drugs cephalosporin 1 and 2.

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1,2-dibromo-1,1-dichloroethane

1,2-dibromo-1,1-dichloroethane structural formula

Structural formula

Business number 01K6
Molecular formula C2H2Br2Cl2
Molecular weight 256.75
label

1,2-Dibromo-2,2-dichloroethane,

1,2-dibromo-1,1-dichloro-ethane

Numbering system

CAS number:75-81-0

MDL number:MFCD00053228

EINECS number:200-904-7

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data




Toxicological data

1, acute toxicity


Mouse caliberLD50:205mg/kg


Large Rat InhalationLC50: 83 ppm/6H


Rabbit skinLD50:500mg/kg

Ecological data

None

Molecular structure data

5. Molecular property data:


1. Molar refractive index: 36.44


2. Molar volume (m3/mol):110.7


3. isotonic specific volume (90.2K):287.9


4. Surface Tension (dyne/cm):45.7


5. Polarizability10-24cm3):14.44

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 44.8

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

None

Synthesis method

None

Purpose

None

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Mercaptoacetonaphthamide

Structural formula of mercaptoacetonaphthamide

Structural formula

Business number 0268
Molecular formula C12H11NOS
Molecular weight 217.29
label

Beta-aminonaphthalene thioglycolate,

Thioglycolic acid-beta-naphthylamine,

Mercaptoacetyl-2-naphthylamine,

Thionaphthalene agent,

2-Mercapto-n-2-naphthylacetamide

Numbering system

CAS number:93-42-5

MDL number:None

EINECS number:202-245-0

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Characteristics: white to ivory needle-like crystals.


2. Density (g/mL,25/4℃): Undetermined


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


4. Melting point (ºC):111 112


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 partition coefficient (water): undetermined


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


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


19. Solubility: Easily soluble in ethanol, ether, acetone and other organic solvents, but insoluble in water.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index:66.26


2. Molar volume (m3/ mol):170.6


3. Isotonic specific volume (90.2K): 466.7


4. Surface tension (dyne/cm): 55.9


5. Polarizability10-24cm3):26.26

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.7

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 4

6. Topological molecule polar surface area 30.1

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 232

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 in a cool place.

Synthesis method

None

Purpose

Precipitation enrichment agent. Concentration and separation of arsenic, cadmium, copper, mercury, silver, thallium (I), bismuth, rhodium, ruthenium, antimony and lead. Alkalinity test.

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Hoverteric acid

Homovertebrate acid structure

Structural formula

Business number 0267
Molecular formula C10H12O4
Molecular weight 196.2
label

3,4-Dimethoxyphenylacetic acid,

(3,4-Dimethoxyphenyl)acetic acid,

3,4-Dimethoxyphenylacetic acid,

(3,4-dimethoxy)acetic acid,

(3,4-Dimethoxyphenyl)acetic acid

Numbering system

CAS number:93-40-3

MDL number:MFCD00004335

EINECS number:202-244-5

RTECS number:AH0675000

BRN number:1110282

PubChem number:24893270

Physical property data

1. Properties: Products containing one molecule of crystal water are needle-shaped crystals. The product that precipitates from benzene or petroleum ether is anhydrous.

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

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

4. Melting point (ºC): 80~82℃ (98~99℃, anhydrous).

5. Boiling point (ºC, normal pressure): Not determined

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 Combustion 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. Logarithmic 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: Soluble in water, ethanol and ether.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 50.72

2. Molar volume (cm3/mol): 164.8

3. Isotonic specific volume (90.2K ): 419.0

4. Surface tension (dyne/cm): 41.7

5. Polarizability (10-24cm3): 20.10

Compute chemical data

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

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 55.8

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 193

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 kept sealed.

Synthesis method

None

Purpose

Used in organic synthesis. ​

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Sulfinpyrazone

Sulfinpyrazone Structural Formula

Structural formula

Business number 0194
Molecular formula C23H20N2O3S
Molecular weight 404.48
label

1,2-diphenyl-4-(2-(phenylsulfinyl)ethyl)-3,5-pyrazolidinedione,

1,2-Diphenyl-4-(phenylsulfinylethyl)-3,5-pyrazolidinedione

Numbering system

CAS number:57-96-5

MDL number:MFCD00057279

EINECS number:200-357-4

RTECS number:UQ8575000

BRN number:None

PubChem number:24899841

Physical property data

None

Toxicological data

1, acute toxicity: human oral TDLo: 29mg/kg; rat oral LD50: 358mg/kg; rat intravenous LDLo: 154mg/kg; mouse oral LD50: .298mg/kg;
Mouse abdominal cavity LD50: 100mg/kg; Mouse vein LD50: 240mg/kg; Rabbit intravenous LD50: 195mg/ kg
2, mutagenicity: sex chromosomes Loss and nondisjunctionTEST system: mold Aspergillus nidulans: 1mg/L

Ecological data

None

Molecular structure data

5. Molecular property data:


1. Molar refractive index: 114.13


2. Molar volume (m3/mol):290.0


3. isotonic specific volume (90.2K):856.1


4. Surface Tension (dyne/cm):75.9


5. Polarizability10-24cm3): 45.24

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: 4

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: 2

6. Topological molecule polar surface area 76.9

7. Number of heavy atoms: 29

8. Surface charge: 0

9. Complexity: 571

10. Number of isotope atomsAmount: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

13. Determine the chemical bond position Number of stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

None

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Methyltrichlorosilane

Methyltrichlorosilane structural formula

Structural formula

Business number 01K4
Molecular formula CH3Cl3Si
Molecular weight 149.48
label

Methylsilane,

Trichloromethylsilane,

Monomethyltrichlorosilane,

Methyl silicon trichloride,

Methyltrichlorosilane,

Methyltrichlorosilane,

Methyltriehlorosilane,

Methyl silicochloroform,

Methylsilicon trichloride,

Elemental organic compounds

Numbering system

CAS number:75-79-6

MDL number:MFCD00000481

EINECS number:200-902-6

RTECS number:VV4550000

BRN number:1361381

PubChem number:24897271

Physical property data

1. Properties: colorless liquid with pungent odor and easy to deliquesce. [1]

2. Melting point (℃): -90[2]

3. Boiling point (℃): 66.4[3]

4. Relative density (water = 1): 1.28[4]

5. Relative vapor Density (air=1): 5.2[5]

6. Saturated vapor pressure (kPa): 17.9 (20℃)[6]

7. Critical pressure (MPa): 3.53[7]

8. Octanol/water partition coefficient: 2.01[8]

9. Flash point (℃): -9 (CC); 7.2 (OC) [9]

10. Ignition temperature ( ℃): 490[10]

11. Explosion upper limit (%): 11.9[11]

12. Explosion Lower limit (%): 7.2[12]

13. Solubility: soluble in benzene and ether. [13]

Toxicological data

1. Skin/eye irritation

Standard Draize test: rabbit, skin contact: 500μL; severity of reaction: severe.

Standard Draize test: Rabbit, eye contact: 5mg/24H; Severity of reaction: Severe.

2. Acute toxicity: Rat oral LD50: 1620μL/kg; rat inhalation LC50: 450ppm/4H; rat intraperitoneal LDLo: 30mg/kg; mouse inhalation LC50: 180mg/ m3/2H; Rabbit skin contact LD50: 840μL/kg;

3. Acute toxicity[14]

LD50: 1620μl (2173.6mg)/kg (rat oral); 840μl (1075.2mg)/kg (rabbit transdermal)

LC50 : 450ppm (rat inhalation, 4h)

4. Irritation[15]

Rabbit transdermal: 500μl, severe stimulation.

Rabbit eye: 5mg (24h), severe irritation.

Ecological data

1. Slightly harmful to water, avoid undiluted or large amounts of product coming into contact with groundwater, waterways or sewage systems.

2. Ecotoxicity No data available

3. Biodegradability No data

4. Non-biodegradabilityNo information yet

Molecular structure data

1. Molar refractive index: 29.94

2. Molar volume (cm3/mol): 114.9

3. Isotonic specific volume (90.2K ): 246.4

4. Surface tension (dyne/cm): 21.1

5. Polarizability (10-24cm3): 11.87 p>

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: 0

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 5

8. Surface charge: 0

9. Complexity: 28.4

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

1. Stability[16] Stable

2. Incompatible substances[17] Strong acid, strong alkali, strong oxidant, water

3. Conditions to avoid contact[18] Humid air, heat

4. Polymerization hazard[19] Polymerization

5. Decomposition products[20] Hydrogen chloride

Storage method

Storage Precautions[21] Store in a cool, ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 37℃. The packaging must be sealed and must not come into contact with air. They should be stored separately from oxidants, acids, alkalis, etc. and avoid mixed storage. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

Methyl chloride and silicon powder are directly synthesized in the presence of cuprous chloride catalyst in the next step to generate a methylchlorosilane mixture, which is purified by distillation to obtain the product dimethyldichlorosilane. Then use vacuum distillation to separate and purify. ​​​

Purpose

Used in the manufacture of silicone compounds. [22]

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17α-estradiol

17α-estradiol structural formula

Structural formula

Business number 0193
Molecular formula C18H24O2
Molecular weight 272.38
label

1,3,5(10)estratriene-3,17α-diol,

1,3,5(10)-Estratriene-3,17α-diol,

3,17α-Dihydroxy-1,3,5(10)-estratriene

Numbering system

CAS number:57-91-0

MDL number:MFCD00064144

EINECS number:200-354-8

RTECS number:KG3750000

BRN number:None

PubChem number:24894682

Physical property data

1. Character: Hemihydrate is Needle crystal(80%Ethanol).


2. Density ( g/mL,25/4℃) :1.04


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


4. Melting point ( ºC): 220~223


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


6. Boiling point ( ºC, 1.33Pa :Undetermined


7. Refractive Index: Undetermined


8. Flashpoint (ºC): Undetermined


9. Specific optical rotation (º): +53°56°(c=0.9, dioxane Ring)


10. Autoignition point or ignition temperature (ºC): Not OK


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/Logarial value of the partition coefficient for water: undetermined


17. Explosion limit (%,V/V): Not OK


18. Lower explosion limit (%,V/V): Not OK


19. Solubility: soluble in ethanol , acetone and alkaline aqueous solution, 1gSoluble in greater than100mlBoiling benzene, slightly soluble in ether and chloroform, insoluble in water and dilute acid.


Toxicological data

1, Carcinogenicity: Guinea pig intramuscular TDLo: 3mg/kg
2, mutagenicity: DNA‘s EN-US>inhibitionTEST system: human cells not otherwise specified: 100mg/L

Ecological data

None

Molecular structure data

5. Molecular property data:


1. Molar refractive index: 79..50


2. Molar volume (m3/mol):232.6


3. isotonic specific volume (90.2K):615.4


4. Surface Tension (dyne/cm):48.9


5. Polarizability10-24cm3):31.51


Compute chemical data

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

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 9

6. Topological molecule polar surface area 40.5

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 382

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 5

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

None

Synthesis method

Punica granatum L. from the family Pomegranate(Punica granatum L.).

Purpose

Treatment of functional uterine bleeding, primary amenorrhea, menopausal syndrome, etc.

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dimethyldichlorosilane

Dimethyldichlorosilane structural formula

Structural formula

Business number 01K3
Molecular formula C2H6Cl2Si
Molecular weight 129.06
label

Dichlorodimethylsilane,

dimethyl silicon dichloride,

Dimethyldichlorosilane,

dimethyldichlorosilane,

Dimethyldichlorosilane,

DMDCS,

Dow Corning® product Z-1219,

Elemental organic compounds

Numbering system

CAS number:75-78-5

MDL number:MFCD00000491

EINECS number:200-901-0

RTECS number:VV3150000

BRN number:605287

PubChem number:24867582

Physical property data

1. Characteristics: colorless fuming liquid with pungent odor. [1]

2. Melting point (℃): <-70[2]

3. Boiling point (℃) : 70.5[3]

4. Relative density (water = 1): 1.07[4]

5. Relative Vapor density (air=1): 4.45[5]

6. Saturated vapor pressure (kPa): 14.5 (20℃)[6]

7. Critical pressure (MPa): 3.49[7]

8. Octanol/water partition coefficient: 2.24[8]

9. Flash point (℃): -9 (CC); -16 (OC) [9]

10. Ignition Temperature (℃): 398.9[10]

11. Explosion limit (%): 9.5[11]

12 .Lower explosion limit (%): 3.4[12]

13. Solubility: soluble in benzene and ether. [13]

Toxicological data

1. Skin/eye irritation

Standard Draize test: rabbit, skin contact: 20mg/24H; severity of reaction: moderate.

Standard Draize test: Rabbit, eye contact: 5 mg/24H; Severity of reaction: Severe.

2. Acute toxicity:

Rat oral LD50: 5660μL/kg; mouse inhalation LC50: 930ppm/4H; rat intraperitoneal LDLo: 10mg/kg; small Rat inhalation LC50: 300mg/m3/2H;

3. Acute toxicity[14] LC50: 4910mg /m3(rat inhalation, 4h)

4. Irritation [15]

Rabbit transdermal: 20mg (24h), moderate irritation.

Rabbit eye: 5mg (24h), severe irritation.

Ecological data

1. Ecotoxicity No data available

2. Biodegradability No data available

3 .Non-biodegradability No information available

Molecular structure data

1. Molar refractive index: 29.73

2. Molar volume (cm3/mol): 120

3. Isotonic specific volume (90.2K ): 247.7

4. Surface tension (dyne/cm): 18.1

5. Polarizability (10-24cm3): 11.78 p>

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: 0

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 5

8. Surface charge: 0

9. Complexity: 30.6

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. This product is highly toxic. Irritating to respiratory tract and skin. After long-term exposure, symptoms such as nasal mucosa atrophy or bronchitis may occur. In addition, there are symptoms such as headache, drowsiness, weakness, and chest pain. Hydrogen chloride is released when it comes in contact with water, which is also irritating and corrosive, so special attention should be paid during operation. Rinse with plenty of water after contact with skin and eyes, equipment should be sealed, and operators should wear protective gear.

2. Stability[16] Stable

3. Incompatible substances[17] Strong oxidants, acids, alcohols, amines, strong bases

4. Conditions to avoid contact[18] Humid air, heat

5. Polymerization hazard[19] No polymerization

6. Decomposition products [20] Silicon oxide, hydrogen chloride

Storage method

Storage Precautions[21] Store in a cool, dry and well-ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 37℃. The packaging must be sealed and must not come into contact with air. They should be stored separately from oxidants, acids, alkalis, alcohols, etc. and avoid mixed storage. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

(1) The direct method is now used in industry. During production, copper or copper salt is used as a catalyst to directly react methyl chloride with silicon powder at about 300°C. This is a complex heterogeneous reaction. The reaction mixture mainly contains dimethyldichlorosilane (75%), Monomethyltrichlorosilane (20-30%), trimethylmonochlorosilane (5%) and methyldichlorosilane; the boiling points of these components are 70°C, 66.4°C, 57.9°C and 41°C respectively , using an emulsification tower for separation. If necessary, its composition can be adjusted by changing operating conditions.

(2) Grignard reagent method After long-term efforts, F.S. Kipping and his collaborators synthesized a large number of organosilicon compounds using the Grignard reagent method. Its characteristics are: the product has fewer components, can be used to prepare mixed hydrocarbyl silanes, can produce metal salts by-product, and can connect the same organic groups such as alkyl groups, alkenyl groups, aryl groups, etc. to silicon atoms to form monomers. The disadvantages are: it requires the use of flammable ether or other solvents, which not only consumes a lot of money, but is also flammable and explosive, making the production unsafe; the process steps are many and complex; the raw materials silicon tetrachloride and Grignard reagent are expensive and costly, and are not suitable For large-scale industrial production.

(3) Condensation method (substitution method) A method in which chlorosilane (mainly hydrogen-containing chlorosilane) reacts with hydrocarbons or halogenated hydrocarbons, and is condensed under high temperature or under the action of a catalyst to generate organochlorosilane. , also known as heat shrinkage method. Thinking of the condensation process as a process in which hydrogen or chlorine on the silane is replaced by a hydrocarbon group, the condensation method can also be called a substitution method.

(4) Disproportionation (redistribution) method refers to the method of using a certain catalyst to redistribute the substituents in silane to generate new organohalosilanes, so it is also called the redistribution method. Its outstanding advantage is that it can solve the imbalance problem in monomer production, realize comprehensive utilization and reduce production costs.

Purpose

1. Used in the manufacture of dimethyl silicone oil, silicone rubber and silicone resin.

2. Used as an intermediate in the manufacture of silicone resin. [22]

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2-furanmethanethiol

2-furanmethylthiol structural formula

Structural formula

Business number 02D3
Molecular formula C5H6OS
Molecular weight 114.07
label

furfuryl mercaptan,

2-Thiofuranmethanol,

coffee aldehyde,

Furfuryl mercaptan,

2-thio furan methanol,

Coffee aldehydes,

artificial flavors

Numbering system

CAS number:98-02-2

MDL number:MFCD00003254

EINECS number:202-628-2

RTECS number:LU2100000

BRN number:383594

PubChem number:24871755

Physical property data

1. Properties: colorless and transparent liquid with a very unpleasant odor.

2. Density (g/mL, 25℃): 1.139

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

4. Melting point (ºC): Undetermined

5. Boiling point (ºC, normal pressure): 155

6. Boiling point (ºC, kPa): Undetermined

7. Refractive index (n20/D): 1.5329

8. Flash point (ºC): 45

9. Specific rotation (º): Undetermined

p>

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (mmHg, 55ºC): Not determined

12. Saturated vapor pressure (kPa, 25 ºC): 0 not determined

13. Heat of combustion (KJ/mol): not determined

14. Critical temperature (ºC): not determined

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: Insoluble in water, soluble in a variety of organic matter It is stable in solvents and dilute alkali solutions, and easily polymerizes in the presence of inorganic acids.

Toxicological data

1. Acute toxicity: mouse peritoneal cavity LD50: 100mg/kg; 2. Other multiple dose toxicity: rat oral TDLo: 2730 mg/kg/13W-C; 3. Reproductive toxicity: male rats 42 days before mating Oral TDLo: 1260 mg/kgSEX/DURATION;

Ecological data

Water hazard class 1 (German Regulation) (self-assessment via list) The substance is slightly hazardous to water.

Do not allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems.

Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 31.36

2. Molar volume (cm3/mol): 102.5

3.   Isotonic specific volume (90.2K): 249.9

4. Surface tension (dyne/cm): 35.2

5. Dielectric constant:

6. Even Polar distance (10-24cm3):

7. Polarizability: 12.43

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 1.3

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 13.1

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 56

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 Number: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with oxidants, reducing agents, alkalis, and alkali metals.

After dilution, it has the aroma of coffee and caramel, and when it is strong, it has an unpleasant sulfur-like smell. It is insoluble in water, soluble in a variety of organic solvents and dilute alkali solutions, and has stable properties. It is easy to polymerize in the presence of inorganic acids.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. They should be stored separately from oxidants, reducing agents, alkalis, and food chemicals, and avoid mixed storage. It should not be stored for a long time to avoid deterioration. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

Heat furfuryl alcohol, thiourea and 48% hydrobromic acid to reflux, add sodium hydroxide aqueous solution, acidify the aqueous layer after separation, extract and combine the ether layers with ether, dry and distill to obtain the desired product.

Purpose

Raw materials for preparing coffee and baking aroma. The dosage for candies and baked goods is 2×10-6. Dosage of soft drinks, iced foods, and frostings (5×10-7) ~ (7.8×10-7). The dosage of jelly and pudding is 10-7. Product quality: content ≥99%.

It is used to prepare coffee, chocolate and other flavors and is an important edible spice. In the spice industry, this product can also be used to synthesize other spices containing furfuryl sulfur groups.

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BDMAEE:Bis (2-Dimethylaminoethyl) Ether

CAS NO:3033-62-3

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