-
Name
N*1*-BENZYL-4-CHLORO-BENZENE-1,2-DIAMINE
- EINECS
- CAS No. 39235-92-2
- Article Data12
- CAS DataBase
- Density 1.265 g/cm3
- Solubility
- Melting Point
- Formula C13H13ClN2
- Boiling Point 407.3 °C at 760 mmHg
- Molecular Weight 232.713
- Flash Point 200.1 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms o-Phenylenediamine,N1-benzyl-4-chloro- (6CI);JSH 24;
- PSA 38.05000
- LogP 4.18850
1,2-Benzenediamine,4-chloro-N1-(phenylmethyl)- Specification
The 1,2-Benzenediamine,4-chloro-N1-(phenylmethyl)- is an organic compound with the formula C13H13ClN2. The IUPAC name of this chemical is 1-N-benzyl-4-chlorobenzene-1,2-diamine. With the CAS registry number 39235-92-2, it is also named as N1-benzyl-4-chlorobenzene-1,2-diamine.
Physical properties about 1,2-Benzenediamine,4-chloro-N1-(phenylmethyl)- are: (1)ACD/LogP: 3.24; (2)#H bond acceptors: 2; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 6.48 Å2; (6)Index of Refraction: 1.68; (7)Molar Refractivity: 69.48 cm3; (8)Molar Volume: 183.8 cm3; (9)Polarizability: 27.54×10-24cm3; (10)Surface Tension: 54.7 dyne/cm; (11)Density: 1.265 g/cm3; (12)Flash Point: 200.1 °C; (13)Enthalpy of Vaporization: 65.91 kJ/mol; (14)Boiling Point: 407.3 °C at 760 mmHg; (15)Vapour Pressure: 7.65E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(c(NCc1ccccc1)cc2)N
(2)InChI: InChI=1/C13H13ClN2/c14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10/h1-8,16H,9,15H2
(3)InChIKey: XVEGCHXSQSIOKO-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C13H13ClN2/c14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10/h1-8,16H,9,15H2
(5)Std. InChIKey: XVEGCHXSQSIOKO-UHFFFAOYSA-N
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