Polyether_Polyether Polyol Knowledge 3-Chlorodiphenylamine 3-Chlorodiphenylamine

3-Chlorodiphenylamine 3-Chlorodiphenylamine

3-chlorodiphenylamine structural formula

Structural formula

Business number 02K7
Molecular formula C12H10ClN
Molecular weight 203.67
label

m-chlorodiphenylamine,

N-(3-Chlorophenyl)aniline

Numbering system

CAS number:101-17-7

MDL number:MFCD00000590

EINECS number:202-922-0

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Properties: liquid.

2. Density (g/mL, 25℃): 1.21

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

4. Melting point (ºC): Undetermined

5. Boiling point (ºC, normal pressure): 340

6. Boiling point (ºC, 2mmHg): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

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

11. Vapor pressure (mmHg, 20ºC): Not determined

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

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

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

19. Solubility: Soluble in ethanol, benzene, acetic acid and ether.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 60.52

2. Molar volume (cm3/mol): 167.4

3. Isotonic specific volume (90.2K ): 436.4

4. Surface tension (dyne/cm): 46.1

5. Dielectric constant:

6. Dipole moment (10-24cm3):

7. Polarizability: 23.99

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 4.1

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 12

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 166

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 yet

Storage method

None yet

Synthesis method

It is obtained by the condensation of o-chlorobenzoic acid and m-chloroaniline, and then decarboxylation with iron powder.

Purpose

Organic intermediate used in the production of the drug chlorpromazine.

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.polyether-factory.com/archives/14077

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