3-Chlorodiphenylamine 3-Chlorodiphenylamine
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.
