Product Name

  • Name

    5-CHLORO-2-FLUOROBENZOTRIFLUORIDE

  • EINECS
  • CAS No. 89634-74-2
  • Article Data2
  • CAS DataBase
  • Density 1.427 g/cm3
  • Solubility
  • Melting Point
  • Formula C7H3ClF4
  • Boiling Point 145.3 °C at 760 mmHg
  • Molecular Weight 198.547
  • Flash Point 46.9 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 89634-74-2 (5-CHLORO-2-FLUOROBENZOTRIFLUORIDE)
  • Hazard Symbols IrritantXi
  • Synonyms 4-CHLORO-1-FLUORO-2-(TRIFLUOROMETHYL)BENZENE;5-CHLORO-2-FLUOROBENZOTRIFLUORIDE;5-CHLORO-2-FLUORO(TRIFLUOROMETHYL)BENZENE;5-Chloro-2-fluorobenzotrifluoride, 98+%;Benzene, 4-chloro-1-fluoro-2-(trifluoroMethyl)-;4-Chloro-1-fluoro-2-(trifluoromethyl)benzene, 5-Chloro-alpha,alpha,alpha,2-tetrafluorotoluene;5-Chloro-2-fluorobenzotrifluoride 98%
  • PSA 0.00000
  • LogP 3.49790

5-Chloro-2-fluorobenzotrifluoride Specification

The 5-Chloro-2-fluorobenzotrifluoride, with CAS registry number 89634-74-2, belongs to the following product category: Miscellaneous. It has the systematic name of 4-chloro-1-fluoro-2-(trifluoromethyl)benzene. Besides this, it is also called Benzene, 4-chloro-1-fluoro-2-(trifluoromethyl)-. And the chemical formula of this chemical is C7H3ClF4.

Physical properties of 5-Chloro-2-fluorobenzotrifluoride: (1)ACD/LogP: 3.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.6; (4)ACD/LogD (pH 7.4): 3.6; (5)ACD/BCF (pH 5.5): 323.05; (6)ACD/BCF (pH 7.4): 323.05; (7)ACD/KOC (pH 5.5): 2176.4; (8)ACD/KOC (pH 7.4): 2176.4; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.432; (14)Molar Refractivity: 36.12 cm3; (15)Molar Volume: 139.1 cm3; (16)Polarizability: 14.31×10-24cm3; (17)Surface Tension: 23.8 dyne/cm; (18)Enthalpy of Vaporization: 36.66 kJ/mol; (19)Vapour Pressure: 6.16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(Cl)cc1C(F)(F)F
(2)InChI: InChI=1/C7H3ClF4/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H
(3)InChIKey: PFLGDQIWYTWKCM-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C7H3ClF4/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H
(5)Std. InChIKey: PFLGDQIWYTWKCM-UHFFFAOYSA-N

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