BDMAEE – Page 116

o-Fluorocyclohexanone

Published by BDMAEE on 2024-03-25 | Permalink

Structural formula

Business number	07AC
Molecular formula	C6H9FO
Molecular weight	116.13
label	2-Fluorocyclohexanone, o-Fluorocyclohexanone, Alicyclic compounds

Numbering system

CAS number:694-82-6

MDL number:MFCD01076476

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Characteristics: colorless or brown liquid.

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. Flash Point (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/Logarial value of the partition coefficient of water: undetermined

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

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

19. Solubility: Undetermined .

Toxicological data

None yet

Ecological data

If it is slightly harmful to water, do not Allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems. Do not release material into the environment without government permission.

Molecular structure data

1. Molar refractive index: 27.99

2. Molar volume（m ³/mol）：112.0

3. isotonic ratio（90.2K）：252.9

4. Surface Tension（dyne/cm）：26.0

5. Dielectric constant:

6. Dipole moment（10 ^-24cm³)：

7. Polarizability: 11.09

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.2

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 3

6. Topological molecule polar surface area 17.1

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 101

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

Keep away from oxides.

Storage method

Store in an airtight container and place Store in a cool, dry place. Store away from oxidizing agents.

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

Trifluoroacetaldehyde methyl hemiacetal

Published by BDMAEE on 2024-03-25 | Permalink

Structural formula

Business number	04SZ
Molecular formula	C3H5F3O2
Molecular weight	130.07
label	Trifluoroacetaldehyde methyl half alcohol, Trifluoroacetaldehyde methyl half alcohol, TECH, 1-methoxy-2,2,2-trifluoro-ethano, 1-methoxy-2,2,2-trifluoroethanol, 2,2,2-trifluoro-1-methoxy-ethano, fluoralmethylhemiacetal, FLUORAL HEMIMETHYLACETAL, TRIFUOROACETALDEHYDE HEMIMETHYLACETAL, TRIFLUOROACETALDEHYDE HEMI METHYL ACETAL, TRIFLUOROACETALDEHYDE METHYL

Numbering system

CAS number:431-46-9

MDL number:MFCD00013572

EINECS number:207-072-4

RTECS number:KL6600000

BRN number:1737758

PubChem ID:None

Physical property data

一 , physical property data

Traits ：Not available

Density (g/mL,25/4℃): 1.36

Relative Vapor density (g/mL, air=1)：Not available

Melting point (ºC): Not available

Boiling point (ºC, normal pressure): 104-106

Boiling point (ºC, 5.2kPa): Not available

Refraction Rate: 1.33

Flash Point (ºC): 42

Optical rotation (º): Not available

Spontaneous combustion Point or ignition temperature (ºC): Not available

Steam Pressure (kPa, 25ºC): Not available

saturated Vapor pressure (kPa, 60ºC): Not available

Burn Heat (KJ/mol):Not available

Critical Temperature (ºC): Not available

Critical Pressure (KPa): Not available

oil and water Log value of the (octanol/water) partition coefficient:Not available

Explosion Upper limit (%, V/V): Not available

Explosion Lower limit (%, V/V): Not available

Dissolve Character: Not available

Toxicological data

Two , Toxicological data:

Acute Toxicity:Not available .

Ecological data

Three , Ecological data:

1 , Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.

Molecular structure data

1、 Molar refractive index:19.64

2、 Molar volume （m³/mol)：98.6

3, Isotonic specific volume (90.2K):208.9

4、 Surface Tension （dyne/cm)：20.0

5、 Polarizability（10^-24cm³）：7.78

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.7

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 1

5. Mutual interactions Number of isomers: None

6. Topological molecule polar surface area 29.5

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 69.4

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. The number of uncertain stereocenters of atoms: 1

13. The number of determined stereocenters of chemical bonds: 0

14. The number of uncertain stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

2,6-dinitroaniline

Published by BDMAEE on 2024-03-25 | Permalink

Structural formula

Business number	0694
Molecular formula	C6H5N3O4
Molecular weight	183.12
label	1-amino-2,6-dinitrobenzene, (O2N)2C6H3NH2

Numbering system

CAS number:606-22-4

MDL number:MFCD00007148

EINECS number:210-108-1

RTECS number:BX9200000

BRN number:2214886

PubChem number:24866229

Physical property data

1. Character: yellow needle crystal^[1]

2. Melting point (℃): 139~140^[2]

3. Solubility: insoluble in water, slightly soluble in ethanol, soluble in ether and hot benzene. ^[3]

Toxicological data

1. Acute toxicity^[4] LD50: 180mg/kg (mouse vein)

2. Irritation No information available

Ecological data

1. Ecotoxicity No data available

2. Biodegradability No data available

3 .Non-biodegradability No information available

4. Other harmful effects^[5] This substance It is harmful to the environment and special attention should be paid to the pollution of water bodies.

Molecular structure data

1. Molar refractive index: 43.58

2. Molar volume (cm³/mol): 115.3

3. Isotonic specific volume (90.2K ): 344.0

4. Surface tension (dyne/cm): 79.0

5. Polarizability (10^-24cm³): 17.27

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: 5

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 118

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 199

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^[6] Stable

2. Incompatible substances ^[7] Strong oxidants, strong acids, acid anhydrides, acid chlorides

3. Conditions to avoid contact^{[ 8]} Heating

4. Polymerization hazard^[9] No polymerization

5. Decomposition products^[10] Nitrogen oxides, ammonia

Storage method

Storage Precautions^[11] Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Packaging seal��Should be stored separately from oxidants, acids, and food chemicals, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method

This product is prepared from chlorobenzene as the starting material through the following steps. Keep chlorobenzene, concentrated sulfuric acid and 25% fuming sulfuric acid (volume ratio 6:1) together in a boiling water bath for 2 hours, then cool to room temperature. Add potassium nitrate into the obtained p-chlorobenzenesulfonic acid solution in portions while stirring, and the adding temperature is 40-60°C. After most of the potassium nitrate is dissolved, heat to 110-115°C and keep warm for 20 hours. Pour the nitration solution into crushed ice to freeze, and filter out the yellow precipitate, which is potassium 4-chloro-3,5-dinitrobenzene sulfonate. Dissolve it in boiling water and filter out the insoluble matter. The filtrate was cooled at 5-10°C for 12h. Filter out the crystals, mix with ammonia and reflux for 1 hour. After cooling, filter out the orange potassium 4-amino-3,5-dinitrobenzene sulfonate crystals, and then reflux with sulfuric acid for 6 hours to generate 2,6-dinitroaniline. . The yield is 30-36%.

Purpose

1. Used for the determination of phenol and certain unsaturated hydrocarbons. Dye intermediates.

2. Used in organic synthesis and as analytical reagents. ^[12]

Resource:allhdi.com

nonafluoropentanoyl fluoride

Published by BDMAEE on 2024-03-22 | Permalink

Structural formula

Business number	04K8
Molecular formula	C5F10O
Molecular weight	266.04
label	nonafluoropentanoyl fluoride, Nonafluoropentanoic acid fluoride, aliphatic compounds

Numbering system

CAS number:375-62-2

MDL number:None

EINECS number:206-790-5

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

一 , physical property data

Traits ：Not available

Density (g/mL,25/4℃): 1.6

Relative Vapor density (g/mL, air=1)：Not available

Melting point (ºC): Not available

Boiling point (ºC, normal pressure): 36

Boiling point (ºC, 5.2kPa): Not available

Refraction Rate: Not available

Flash Point (ºC): Not available

Optical rotation (º): Not available

Spontaneous combustion Point or ignition temperature (ºC): Not available

Steam Pressure (kPa, 25ºC): Not available

saturated Vapor pressure (kPa, 60ºC): Not available

Burn Heat (KJ/mol):Not available

Critical Temperature (ºC): Not available

Critical Pressure (KPa): Not available

oil and water Log value of the (octanol/water) partition coefficient:Not available

Explosion Upper limit (%, V/V): Not available

Explosion Lower limit (%, V/V): Not available

Dissolve Properties: Not available

Toxicological data

Two , Toxicology data:

Acute Toxicity:Not available .

Ecological data

Three , Ecological data:

1 , Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.

Molecular structure data

1. Molar refractive index: 26.74

2. Molar volume (m³/mol）：162.8

3. isotonic specific volume (90.2K):311.5

4. Surface Tension (dyne/cm):13.3

5. Polarizability (10^-24cm³):10.60

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.4

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 11

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 17.1

7. Number of heavy atoms: 16

8. Surface charge: 0

9. Complexity: 288

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

Resource:allhdi.com

Hematoxylin

Published by BDMAEE on 2024-03-22 | Permalink

Structural formula

Business number	05BV
Molecular formula	C16H14O6
Molecular weight	302.28
label	Sappan (wood) color, Reagents for histochemical research

Numbering system

CAS number:517-28-2

MDL number:MFCD00005394

EINECS number:208-235-2

RTECS number:None

BRN number:112676

PubChem ID:None

Physical property data

1. Properties: Pure Soviet Fangmu is orange -yellow crystals

2. Density (G/CM ³, 25/4 ° C): Not sure

3. Relative vapor density (g/cm³, air=1): Undetermined

4. Melting point (ºC): 130℃ (decomposition)

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

6. Boiling point (ºC, 8kPa): Undetermined

7. Refractive index: Undetermined

p>

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. The logarithmic value of the oil-water (octanol/water) partition coefficient: Undetermined

17. The upper limit of explosion (%, V/V): Undetermined

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

19. Solubility: Soluble in alcohol, ether and NaOH aqueous solution, insoluble in hydrocarbon solvents.

Toxicological data

Oncogenic data: Oral TDLo in rats: 400 mg/kg/26W-C, tumor RTECS standard, blood-lymphoma, including Hodgkin’s disease.

Ecological data

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

Molecular structure data

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 1.2

2. Number of hydrogen bond donors: 5

3. Number of hydrogen bond acceptors: 6

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 693

6. Topological molecular polar surface area (TPSA): 110

p>

7. Number of heavy atoms: 22

8. Surface charge: 0

9. Complexity: 444

10. Number of isotope atoms :0

11. Determine the number of atomic stereocenters: 2

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

Use and store according to specifications. It will not decompose and avoid contact with oxides.

Storage method

Non-toxic plastic bag coated with kraft paper bag packaging. Store in a cool, dry and dark place.

Synthesis method

It is extracted from the core material of hematoxylin by water leaching and then refined.

Purpose

Can be used as food coloring agent.

Resource:allhdi.com

Quinoline-4-carboxylic acid

Published by BDMAEE on 2024-03-22 | Permalink

Structural formula

Business number	0534
Molecular formula	C10H7NO2
Molecular weight	173.17
label	Quinoline-4-carboxylic acid, quinolinic acid, 4-quinolinecarboxylic acid

Numbering system

CAS number:486-74-8

MDL number:MFCD00006782

EINECS number:207-640-1

RTECS number:GD3850000

BRN number:5224

PubChem ID:None

Physical property data

1. Character: Undetermined

2. Density (g/ m³,25/4℃): Undetermined

3. Relative vapor density (g/cm³, Air=1): Undetermined

4. Melting point (ºC): 255

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

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

7. Refractive index: Undetermined

8. Flash Point (ºF): 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: Undetermined

Toxicological data

Acute toxicity: mice intraperitoneally LD50: 200mg/kg, except No details other than lethal dose;

Ecological data

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

Molecular structure data

1、 Molar refractive index:49.11

2、 Molar volume（m³/mol): 129.3

3、 Isotonic specific volume（90.2K）：367.3

4、 Surface tension（3.0 dyne/cm SPAN>):65.1

5、 Polarizability（0.5 10^-24cm³):19.47

Compute chemical data

1. Hydrophobic parameters Calculate the reference value (XlogP):0.5

2. Hydrogen Bonding Number of donors: 1

3. Hydrogen Bonding Number of receptors: 3

4. Rotatable Number of chemical bonds: 1

5. Interchange Number of isomers: Undetermined

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

7. Heavy Atom Quantity: 13

8. Surface Charge ：0

9. Complexity ：205

10. Isotope atomic number:0

11. Determine the number of atomic stereocenters:0

12. Uncertain number of stereocenters0

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

Use and store according to specifications, no decomposition will occur, and avoid contact with oxides

Storage method

Save in a sealed manner and place it in a ventilated and dry place to avoid contact with other oxides.

Synthesis method

None

Purpose

None

Resource:allhdi.com

p-bromobenzyl bromide

Published by BDMAEE on 2024-03-22 | Permalink

Structural formula

Business number	05ZV
Molecular formula	C7H6Br2
Molecular weight	249.93
label	4-Bromobenzyl bromide, p-bromobenzyl, 4-bromobenzyl, 4-bromobenzyl bromide, Alpha,4-dibromotoluene, p-bromobenzyl bromide, α,4-Dibromotoluene, BrC6H4CH2Br

Numbering system

CAS number:589-15-1

MDL number:MFCD00000179

EINECS number:209-636-5

RTECS number:None

BRN number:606498

PubChem number:24850089

Physical property data

1. Properties: White needle-like crystals. Has a pleasant aromatic smell. Can evaporate with water vapor. Heating and sublimation.

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

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

4. Melting point (ºC): 61

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

6. Boiling point (ºC, 1.60kPa): 115～ 124

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. Saturation 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 ethanol, ether, carbon disulfide, Benzene and glacial acetic acid. Soluble in water and ethanol.

Toxicological data

None

Ecological data

None

Molecular structure data

None

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: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 75

10. Number of isotope atoms: 0

11. Determine the originalThe number of substereocenters: 0

12. The number of uncertain atomic stereocenters: 0

13. The number of determined chemical bond stereocenters: 0

14 .The number of uncertain chemical bond stereocenters: 0

15. The number of covalent bond units: 1

Properties and stability

1. Basic properties

Can evaporate with water vapor. Sublimation occurs when heated. Has an aromatic smell.

Storage method

None

Synthesis method

1. Add 1.4kg (8.3mol) p-bromotoluene and 10mL PCl3 to the flask and heat to 120℃ with stirring. Control the 115~125℃ and slowly add 1280g for about 3h. (430,8mol) bromonaphthalene, after adding, continue to keep stirring for 0.5h, let it stand and cool to below 10℃, the crystallization will be complete in 4~5h, pour off the uncrystallized part, melt the crystal, leave it at 20℃ overnight, and pour it off again The uncrystallized part was obtained, 0.94kg was distilled under reduced pressure, and the 120~124℃ (1.3~1.6kPa) fraction was collected to obtain 900g with a white appearance. The yield is about 45%. Dissolve 900g of the above steamed product in 700mL methanol, cool to room temperature (20°C) with stirring, filter out, rinse once with a little ice-cold methanol, and air-dry to obtain 810g solid with a purity of 99.2% (GC).
2. Preparation method:

Pre-installed thermometer, reflux condenser (with calcium chloride on top In the reaction bottle of the drying tube (the drying tube is connected to the hydrogen bromide absorption device) and the dropping funnel, add 140g (0.83mol) of p-bromotoluene (2) and 3mL of PCl, heat to about 120°C with stirring, and slowly add bromine dropwise. 128g (0.8mol), control the temperature of the reaction solution between 115 and 125°C, and complete the addition in about 3 hours. After the addition was completed, the reaction was continued to stir for 0.5 h. Let cool to below 10°C and leave overnight. Decant off the uncrystallized liquid. Melt the crystals, place at 20°C overnight, and then pour off the uncrystallized liquid. Distill under reduced pressure and collect the fraction at 120~125℃/1.3kPa to obtain 89g of p-bromobenzyl bromide (1), with a yield of 45%. ^[1]

Purpose

Determination of aromatic carboxylic acids. Also used in other organic synthesis.

Resource:allhdi.com

2-bromochlorobenzene

Published by BDMAEE on 2024-03-22 | Permalink

Structural formula

Business number	07AB
Molecular formula	C6H4BrCl
Molecular weight	191.45
label	2-Chloro-1-bromobenzene, o-chlorobromobenzene, o-bromochlorobenzene, 2-Bromochlorobenzene, o-Bromochlorobenzene, BrC6H4Cl, organic synthesis intermediates, Multifunctional solvents, aromatic compounds

Numbering system

CAS number:694-80-4

MDL number:MFCD00000532

EINECS number:211-775-1

RTECS number:None

BRN number:1855303

PubChem number:24891892

Physical property data

1. Properties: colorless liquid.

2. Density (g/mL, 25/4℃): 1.6382

3. Melting point (ºC): -12.3

4. Boiling point (ºC , 101.3kPa): 204

5. Refractive index (20ºC): 1.5804

6. Flash point (ºC): 79

7. Solubility: Easily soluble in benzene, insoluble in water.

Toxicological data

Harmful by inhalation or oral administration, irritating to eyes, skin and mucous membranes, avoid inhalation of vapor.

Ecological data

Generally not hazardous to water, do not discharge material into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 38.83

2. Molar volume (cm³/mol): 117.5

3. Isotonic specific volume (90.2K): 293.6

4. Surface tension (dyne/cm): 38.9

5. Dielectric constant:

6. Dipole moment (10^-24 cm³):

7. Polarizability: 15.39

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.2

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: 8

8. Surface charge: 0

9. Complexity: 74.9

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

Keep away from oxides.

Storage method

Store in a sealed containerInside, and place in a cool, dry place. Store away from oxidizing agents.

Synthesis method

It is obtained by diazotization of o-chloroaniline and then reacting with copper bromide. Mix o-chloroaniline and 48% hydrobromic acid, add ice to cool down to 0°C, quickly add sodium nitrite aqueous solution while stirring, and add crushed ice to keep the temperature below 10°C. Then the mixture of cuprous chloride and hydrobromic acid is heated to boiling and diazo liquid is added. Control the adding speed of diazo liquid and keep the reaction at boiling. After adding the diazo liquid, the product is evaporated with water vapor, and the organic phase (lower liquid) is separated from the distillate, washed with concentrated sulfuric acid, washed with water, washed with 5% sodium hydroxide solution, and then dried with calcium chloride After distillation, the 199-201℃ (98.4kPa) fraction is collected as the finished product.

Purpose

Used as organic synthesis intermediates and solvents.

Resource:allhdi.com

Diethylamide

Published by BDMAEE on 2024-03-22 | Permalink

Structural formula

Business number	06SE
Molecular formula	C4H7NO2
Molecular weight	101.10
label	bisoxamide

Numbering system

CAS number:625-77-4

MDL number:MFCD00008679

EINECS number:210-910-1

RTECS number:None

BRN number:None

PubChem number:24893988

Physical property data

1. Appearance: white powder.

2. Density (g/mL,25/4℃): Undetermined

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

4. Melting point (ºC): 75.5-76.5

5. Boiling point (ºC,Normal pressure): 222-223

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

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

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

19. Solubility: Undetermined.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Moore refraction Rate: 24.23

2. Molar volume (cm³/mol):97.6

3. isotonic ratio (90.2K）：229.3

4. Surface Tension (dyne/cm):30.4

5. Polarization Rate（10^-24cm³):9.60

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: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 2

6. Topological molecule polar surface area 46.2

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 85.9

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

Store in a sealed container and keep in a cool, dry place .

Synthesis method

None

Purpose

None

Resource:allhdi.com

Isoquinolinecarboxylic acid

Published by BDMAEE on 2024-03-22 | Permalink

Structural formula

Business number	0533
Molecular formula	C10H7NO2
Molecular weight	173.17
label	Isoquinolinecarboxylic acid, isoquinolincarboxylic acid

Numbering system

CAS number:486-73-7

MDL number:MFCD00006901

EINECS number:207-639-6

RTECS number:None

BRN number:129177

PubChem number:24848839

Physical property data

1. Character: Undetermined

2. Density (g/ m³,25/4℃):0.932

3. Relative vapor density (g/cm³,AIR=1):3.59

4. Melting point (ºC):164

5. Boiling point (ºC,Normal pressure):69-69

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

7. Refractive index:1.358

8. Flash Point (ºF):8

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 water) partition coefficient: Undetermined

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

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

19. Solubility: Undetermined

Toxicological data

None yet

Ecological data

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

Molecular structure data

1、 Molar refractive index:24.61

2、 Molar volume（m³/mol):119.0

3、 Isotonic specific volume(90.2K): 247.4

4、 Surface tension(3.0 dyne/cm) ：18.6

5、 Polarizability(0.5 10^-24cm³):9.75

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: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 50.2

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 205

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

Use and store according to specifications, no decomposition will occur, and avoid contact with oxides

Storage method

Save in a sealed manner and place it in a ventilated and dry place to avoid contact with other oxides.

Synthesis method

None

Purpose

None

Resource:allhdi.com