Product Name

  • Name

    2-BROMO-6-FLUOROBENZOTRIFLUORIDE

  • EINECS
  • CAS No. 261951-85-3
  • Density 1.695g/cm3
  • Solubility
  • Melting Point
  • Formula C7H3BrF4
  • Boiling Point 173.9°Cat760mmHg
  • Molecular Weight 242.998
  • Flash Point 76.3°C
  • Transport Information
  • Appearance
  • Safety
    Hazard Codes Xi
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 261951-85-3 (2-BROMO-6-FLUOROBENZOTRIFLUORIDE)
  • Hazard Symbols
  • Synonyms 1-Bromo-3-fluoro-2-(trifluoromethyl)benzene;3-Fluoro-2-(trifluoromethyl)bromobenzene;
  • PSA 0.00000
  • LogP 3.60700

2-Bromo-6-fluorobenzotrifluoride Specification

The 2-Bromo-6-fluorobenzotrifluoride, with the cas registry number of 261951-85-3, has the systematic name of 1-bromo-3-fluoro-2-(trifluoromethyl)benzene. The molecular formula of the chemical is C7H3BrF4.

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.51; (4)ACD/LogD (pH 7.4): 3.51; (5)ACD/BCF (pH 5.5): 275.77; (6)ACD/BCF (pH 7.4): 275.77; (7)ACD/KOC (pH 5.5): 1943.37; (8)ACD/KOC (pH 7.4): 1943.37; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.455; (14)Molar Refractivity: 38.91 cm3; (15)Molar Volume: 143.3 cm3; (16)Polarizability: 15.42×10-24cm3; (17)Surface Tension: 25.4 dyne/cm; (18)Density: 1.695 g/cm3; (19)Flash Point: 76.3 °C; (20)Enthalpy of Vaporization: 39.34 kJ/mol; (21)Boiling Point: 173.9 °C at 760 mmHg; (22)Vapour Pressure: 1.66 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)c1c(F)cccc1Br
(2)InChI: InChI=1/C7H3BrF4/c8-4-2-1-3-5(9)6(4)7(10,11)12/h1-3H
(3)InChIKey: LOXSSZUHCPBDMD-UHFFFAOYAZ

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