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| CAS No.: | 6311-47-3 |
|---|---|
| Name: | 5-bromo-2-nitro-N-phenyl-aniline |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C12H9BrN2O2 |
| Molecular Weight: | 293.12 |
| Synonyms: | N-(5-Bromo-2-nitrophenyl)-N-phenylamine;NSC 43212;5-Bromo-2-nitro-N-phenylaniline; |
| Density: | 1.597 g/cm3 |
| Boiling Point: | 382.6 °C at 760 mmHg |
| Flash Point: | 185.2 °C |
| PSA: | 57.85000 |
| LogP: | 4.69710 |
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- Total:16 Page 1 of 1 1
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Specification
The Benzenamine,5-bromo-2-nitro-N-phenyl-, with the CAS registry number 6311-47-3, is also known as N-(5-Bromo-2-nitrophenyl)-N-phenylamine. This chemical's molecular formula is C12H9BrN2O2 and molecular weight is 293.12. What's more, its systematic name is 5-bromo-2-nitro-N-phenylaniline.
Physical properties of Benzenamine,5-bromo-2-nitro-N-phenyl- are: (1)ACD/LogP: 4.44; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 49.06 Å2; (7)Index of Refraction: 1.686; (8)Molar Refractivity: 69.86 cm3; (9)Molar Volume: 183.5 cm3; (10)Polarizability: 27.69×10-24cm3; (11)Surface Tension: 58 dyne/cm; (12)Density: 1.597 g/cm3; (13)Flash Point: 185.2 °C; (14)Enthalpy of Vaporization: 63.11 kJ/mol; (15)Boiling Point: 382.6 °C at 760 mmHg; (16)Vapour Pressure: 4.66E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1c(cc(Br)cc1)Nc2ccccc2
(2)InChI: InChI=1S/C12H9BrN2O2/c13-9-6-7-12(15(16)17)11(8-9)14-10-4-2-1-3-5-10/h1-8,14H
(3)InChIKey: VXYRBUVRDFHDGD-UHFFFAOYSA-N