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2-Bromo-4-fluoro-6-nitroaniline

  • Name 2-Bromo-4-fluoro-6-nitroaniline
  • EINECS1533716-785-6
  • CAS No. 10472-88-5
  • Density1.896 g/cm3
  • PSA71.84000
  • LogP3.18300
  • SolubilityN/A
  • Melting Point70-72 °C
  • FormulaC6H4BrFN2O2
  • Boiling Point313.9 °C at 760 mmHg
  • Molecular Weight235.012
  • Flash Point143.6 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk Codes T:;
  • Molecular Structure
    Molecular Structure of 10472-88-5 (2-BROMO-4-FLUORO-6-NITROANILINE)
  • Hazard SymbolsToxicT
  • SynonymsToxicT
  • Article Data16

2-Bromo-4-fluoro-6-nitroaniline 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

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