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| CAS No.: | 23008-56-2 |
|---|---|
| Name: | N-(4-CHLOROPHENYL)-2-NITROBENZENAMINE |
| Article Data: | 36 |
| Molecular Structure: | |
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| Formula: | C12H9ClN2O2 |
| Molecular Weight: | 248.669 |
| Synonyms: | Diphenylamine,4-chloro-2'-nitro- (6CI);Diphenylamine, 4'-chloro-2-nitro- (8CI);2-(4-Chlorophenylamino)-1-nitrobenzene;4-Chloro-2'-nitrodiphenylamine;4-Chloro-N-(2-nitrophenyl)benzenamine;4'-Chloro-2-nitrodiphenylamine; |
| EINECS: | 245-377-4 |
| Density: | 1.387 g/cm3 |
| Melting Point: | 145-148 °C(lit.) |
| Boiling Point: | 377.219 °C at 760 mmHg |
| Flash Point: | 181.936 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 57.85000 |
| LogP: | 4.58800 |
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Specification
The Benzenamine,N-(4-chlorophenyl)-2-nitro-, with CAS registry number 23008-56-2, has the systematic name of N-(4-chlorophenyl)-2-nitroaniline. And its IUPAC name is the same one. Besides this, it is also called 4-Chloro-N-(2-nitrophenyl)aniline. And the chemical formula of this chemical is C12H9ClN2O2.
Physical properties of Benzenamine,N-(4-chlorophenyl)-2-nitro-: (1)ACD/LogP: 4.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.39; (4)ACD/LogD (pH 7.4): 4.39; (5)ACD/BCF (pH 5.5): 1276.27; (6)ACD/BCF (pH 7.4): 1276.27; (7)ACD/KOC (pH 5.5): 5818.8; (8)ACD/KOC (pH 7.4): 5818.8; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49.06 Å2; (13)Index of Refraction: 1.671; (14)Molar Refractivity: 67.06 cm3; (15)Molar Volume: 179.2 cm3; (16)Polarizability: 26.58×10-24cm3; (17)Surface Tension: 56.7 dyne/cm; (18)Density: 1.387 g/cm3; (19)Flash Point: 181.9 °C; (20)Enthalpy of Vaporization: 62.5 kJ/mol; (21)Boiling Point: 377.2 °C at 760 mmHg; (22)Vapour Pressure: 6.86E-06 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Benzenamine,N-(4-chlorophenyl)-2-nitro- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(Nc1ccccc1[N+]([O-])=O)cc2
(2)InChI: InChI=1/C12H9ClN2O2/c13-9-5-7-10(8-6-9)14-11-3-1-2-4-12(11)15(16)17/h1-8,14H
(3)InChIKey: RCLKXSIRDRWUGX-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C12H9ClN2O2/c13-9-5-7-10(8-6-9)14-11-3-1-2-4-12(11)15(16)17/h1-8,14H
(5)Std. InChIKey: RCLKXSIRDRWUGX-UHFFFAOYSA-N