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2-Bromo-1-nitro-4-(trifluoromethyl)benzene

  • Name 2-Bromo-1-nitro-4-(trifluoromethyl)benzene
  • EINECSN/A
  • CAS No. 132839-58-8
  • Density1.788 g/cm3
  • PSA45.82000
  • LogP3.89930
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC7H3BrF3NO2
  • Boiling Point224.8 °C at 760 mmHg
  • Molecular Weight270.006
  • Flash Point89.7 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 132839-58-8 (2-Bromo-1-nitro-4-(trifluoromethyl)benzene)
  • Hazard SymbolsToxicT
  • SynonymsToxicT
  • Article Data1

2-Bromo-1-nitro-4-(trifluoromethyl)benzene Specification

The 2-Bromo-1-nitro-4-(trifluoromethyl)benzene, with the CAS registry number of 132839-58-8, is also known as Benzene, 2-bromo-1-nitro-4-(trifluoromethyl)-. Its molecular formula is C7H3BrF3NO2 and molecular weight is 270.0034.

Physical properties about the 2-Bromo-1-nitro-4-(trifluoromethyl)benzene are: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.81; (4)ACD/LogD (pH 7.4): 2.81; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 45.82 Å2; (9)Index of Refraction: 1.514; (10)Molar Refractivity: 45.46 cm3; (11)Molar Volume: 150.9 cm3; (12)Surface Tension: 36.2 dyne/cm; (13)Density: 1.788 g/cm3; (14)Flash Point: 89.7 °C; (15)Enthalpy of Vaporization: 44.25 kJ/mol; (16)Boiling Point: 224.8 °C at 760 mmHg; (17)Vapour Pressure: 0.134 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(c(cc1C(F)(F)F)Br)[N+](=O)[O-]
(2) InChI: InChI=1/C7H3BrF3NO2/c8-5-3-4(7(9,10)11)1-2-6(5)12(13)14/h1-3H
(3) InChIKey: DJOLBPUSSIOMKU-UHFFFAOYAQ

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