Toluene diisocyanate manufacturer Knowledge m-nitrobenzoyl chloride m-nitrobenzoyl chloride

m-nitrobenzoyl chloride m-nitrobenzoyl chloride

m-nitrobenzoyl chloride structural formula

Structural formula

Business number 03E8
Molecular formula C7H4ClNO3
Molecular weight 185.56
label

m-nitrobenzoyl chloride,

3-nitrobenzoyl chloride,

m-nitrobenzoyl chloride,

3-nitrobenzyl chloride,

m-Nitrobenzoyl chloride,

3-Nitro-Benzoylchlorid,

Benzoyl Chloride, M-Nitro-,

Benzoylchloride,3-Nitro-,

Chlorid Kyseliny M-Nitrobenzoove,

Chloridkyselinym-Nitrobenzoove,

M-Nitro-Benzoylchlorid,

3-Nitrobenzoic Acid Chloride,

3-Nitrobenzoyl Chloride,

aromatic compounds

Numbering system

CAS number:121-90-4

MDL number:MFCD00007247

EINECS number:204-505-9

RTECS number:DM6646000

BRN number:777186

PubChem ID:None

Physical property data

1. Character: yellow or brown liquid(Light yellow needle crystal), has a pungent smell.


2.                     ; Density (g/mL ,25/4℃):1.428


3. Melting point ():37


4. Boiling point (ºC):275-278(Microdecomposition),1643.33kPa),154-1552.93kPa)


5. Solubility:Soluble in ether and benzene, decomposes when exposed to water and ethanol

Toxicological data

1, acute toxicity: rat oral LD50: 2460uL/kg


Rabbit skinLD50790uL/kg


2Salmonella mutation test System: 100ug/plate


Ecological data

None

Molecular structure data


5. Molecular property data:


1. Molar refractive index:43.04


2. Molar Volumem3/mol)127.6


3. isotonic ratio90.2K 346.5


4. Surface tensiondyne/cm)54.2


5. Dielectric constant:


6. Dipole moment10-24cm3


7. Polarizability:17.06

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: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 62.9

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 201

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

1. Introduction to production methods


Originated from the reaction of m-nitrobenzoic acid and phosgene. Mix m-nitrobenzoic acid, benzene and a small amount of dimethylformamide and heat to 40-50 , to dissolve them all. Then, phosgene is passed through until the acyl chloride is complete, and then nitrogen is introduced to drive away the remaining phosgene. Distill the reaction product, recover the solvent benzene, and distill it twice under reduced pressure to obtain m-nitrobenzoyl chloride. In addition, m-benzoic acid and thionyl chloride were heated to reflux3h, recover excess thionyl chloride, distill under reduced pressure, yield153-1541.6kPa) fraction to 90-98%The yield of m-nitrobenzoyl chloride is obtained.

Purpose

2. Purpose


Used as an intermediate for pharmaceuticals and Dangjie color developers.

pt; FONT-FAMILY: 宋体; mso-ascii-font-family: Arial; mso-hansi-font-family: Arial; mso-bidi-font-family: Arial”>Polarizability:17.06

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: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 62.9

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 201

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

1. Introduction to production methods


Originated from the reaction of m-nitrobenzoic acid and phosgene. Mix m-nitrobenzoic acid, benzene and a small amount of dimethylformamide and heat to 40-50 , to dissolve them all. Then, phosgene is passed through until the acyl chloride is complete, and then nitrogen is introduced to drive away the remaining phosgene. Distill the reaction product, recover the solvent benzene, and distill it twice under reduced pressure to obtain m-nitrobenzoyl chloride. In addition, m-benzoic acid and thionyl chloride were heated to reflux3h, recover excess thionyl chloride, distill under reduced pressure, yield153-1541.6kPa) fraction to 90-98%The yield of m-nitrobenzoyl chloride is obtained.

Purpose

2. Purpose


Used as an intermediate for pharmaceuticals and Dangjie color developers.

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/25419

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