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.