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Benzene,2-(bromomethyl)-1-fluoro-4-nitro-

  • Name Benzene,2-(bromomethyl)-1-fluoro-4-nitro-
  • EINECSN/A
  • CAS No. 454-15-9
  • Density1.734 g/cm3
  • PSA45.82000
  • LogP3.15200
  • SolubilityN/A
  • Melting Point74-76 °C
  • FormulaC7H5BrFNO2
  • Boiling Point303.369 °C at 760 mmHg
  • Molecular Weight234.025
  • Flash Point137.273 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 454-15-9 (2-BROMOMETHYL-1-FLUORO-4-NITROBENZENE)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data16

Benzene,2-(bromomethyl)-1-fluoro-4-nitro- Specification

The Benzene, 2-(bromomethyl)-1-fluoro-4-nitro-, with the CAS registry number 454-15-9, is also known as 2-Fluoro-5-nitrobenzyl bromide. This chemical's molecular formula is C7H5BrFNO2 and molecular weight is 234.02. What's more, its systematic name is 2-(Bromomethyl)-1-fluoro-4-nitrobenzene.

Physical properties about Benzene, 2-(bromomethyl)-1-fluoro-4-nitro- are: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 47; (6)ACD/BCF (pH 7.4): 47; (7)ACD/KOC (pH 5.5): 546; (8)ACD/KOC (pH 7.4): 546; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.82 Å2; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 45.44 cm3; (15)Molar Volume: 134.977 cm3; (16)Polarizability: 18.014×10-24 cm3; (17)Surface Tension: 49.949 dyne/cm; (18)Density: 1.734 g/cm3; (19)Flash Point: 137.273 °C; (20)Enthalpy of Vaporization: 52.193 kJ/mol; (21)Boiling Point: 303.369 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: BrCc1cc(ccc1F)[N+]([O-])=O
(2) InChI: InChI=1/C7H5BrFNO2/c8-4-5-3-6(10(11)12)1-2-7(5)9/h1-3H,4H2
(3) InChIKey: KQAKOKGCKNKARC-UHFFFAOYAX

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