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| CAS No.: | 59255-95-7 |
|---|---|
| Name: | 2-BROMO-6-NITROANILINE |
| Article Data: | 17 |
| Molecular Structure: | |
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| Formula: | C6H5BrN2O2 |
| Molecular Weight: | 217.022 |
| Synonyms: | Aniline,2-bromo-6-nitro- (7CI);2-Amino-3-bromonitrobenzene;2-Bromo-6-nitrophenylamine; |
| Density: | 1.812 g/cm3 |
| Melting Point: | 74.5°C |
| Boiling Point: | 309.806 °C at 760 mmHg |
| Flash Point: | 141.166 °C |
| PSA: | 71.84000 |
| LogP: | 3.04390 |
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Specification
The 2-Bromo-6-nitroaniline, with the CAS registry number 59255-95-7, is also known as Benzenamine, 2-bromo-6-nitro-. This chemical's molecular formula is C6H5BrN2O2 and molecular weight is 217.0201. Its systematic name is called 2-bromo-6-nitroaniline.
Physical properties of 2-Bromo-6-nitroaniline: (1)ACD/LogP: 2.97; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 93; (5)ACD/BCF (pH 7.4): 93; (6)ACD/KOC (pH 5.5): 891; (7)ACD/KOC (pH 7.4): 891; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.67; (12)Molar Refractivity: 44.725 cm3; (13)Molar Volume: 119.74 cm3; (14)Surface Tension: 64.311 dyne/cm; (15)Density: 1.812 g/cm3; (16)Flash Point: 141.166 °C; (17)Enthalpy of Vaporization: 55.059 kJ/mol; (18)Boiling Point: 309.806 °C at 760 mmHg; (19)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cccc([N+]([O-])=O)c1N
(2)InChI: InChI=1/C6H5BrN2O2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H,8H2
(3)InChIKey: KKMOSYLWYLMHAL-UHFFFAOYAJ