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| CAS No.: | 10472-88-5 |
|---|---|
| Name: | 2-BROMO-4-FLUORO-6-NITROANILINE |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C6H4BrFN2O2 |
| Molecular Weight: | 235.012 |
| Synonyms: | Aniline,2-bromo-4-fluoro-6-nitro- (7CI,8CI);2-Bromo-4-fluoro-6-nitrobenzenamine;2-Bromo-4-fluoro-6-nitrophenylamine;6-Bromo-4-fluoro-2-nitroaniline;NSC157607; |
| EINECS: | 1533716-785-6 |
| Density: | 1.896 g/cm3 |
| Melting Point: | 70-72 °C |
| Boiling Point: | 313.9 °C at 760 mmHg |
| Flash Point: | 143.6 °C |
| Hazard Symbols: |
 T
|
| Risk Codes: | T:; ">  T:; |
| PSA: | 71.84000 |
| LogP: | 3.18300 |
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Specification
The Benzenamine,2-bromo-4-fluoro-6-nitro-, with CAS registry number 10472-88-5, belongs to the following product categories: (1)Amines; (2)Phenyls & Phenyl-Het. It has the systematic name of 2-bromo-4-fluoro-6-nitroaniline. And the chemical formula of this chemical is C6H4BrFN2O2.
Physical properties of Benzenamine,2-bromo-4-fluoro-6-nitro-: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 49.06 Å2; (7)Index of Refraction: 1.641; (8)Molar Refractivity: 44.71 cm3; (9)Molar Volume: 123.9 cm3; (10)Polarizability: 17.72×10-24cm3; (11)Surface Tension: 60.8 dyne/cm; (12)Enthalpy of Vaporization: 55.5 kJ/mol; (13)Vapour Pressure: 0.000483 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(F)cc([N+]([O-])=O)c1N
(2)InChI: InChI=1/C6H4BrFN2O2/c7-4-1-3(8)2-5(6(4)9)10(11)12/h1-2H,9H2
(3)InChIKey: HCYDUPDSEDHSQB-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C6H4BrFN2O2/c7-4-1-3(8)2-5(6(4)9)10(11)12/h1-2H,9H2
(5)Std. InChIKey: HCYDUPDSEDHSQB-UHFFFAOYSA-N