Product Name

  • Name

    2-(Trifluoromethoxy)chlorobenzene

  • EINECS
  • CAS No. 450-96-4
  • Article Data14
  • CAS DataBase
  • Density 1.386 g/cm3
  • Solubility
  • Melting Point
  • Formula C7H4ClF3O
  • Boiling Point 143.6 °C at 760 mmHg
  • Molecular Weight 196.556
  • Flash Point 40.6 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes R49; R8; R43; R50/53; R20/21/22
  • Molecular Structure Molecular Structure of 450-96-4 (2-(Trifluoromethoxy)chlorobenzene)
  • Hazard Symbols O,T,N
  • Synonyms Anisole,o-chloro-a,a,a-trifluoro- (7CI,8CI);2-Chlorophenyl trifluoromethyl ether;
  • PSA 9.23000
  • LogP 3.23860

2-(Trifluoromethoxy)chlorobenzene Specification

The 2-(Trifluoromethoxy)chlorobenzene with the CAS number 450-96-4 is also called Benzene,1-chloro-2-(trifluoromethoxy)-. The systematic name is 1-chloro-2-(trifluoromethoxy)benzene. Its molecular formula is C7H4ClF3O. This chemical is a kind of organics and should be stored in dry and cool place at room temperature.

Physical properties about 2-(Trifluoromethoxy)chlorobenzene are: (1)ACD/LogP: 3.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.71; (4)ACD/LogD (pH 7.4): 3.71; (5)ACD/BCF (pH 5.5): 391.48; (6)ACD/BCF (pH 7.4): 391.48; (7)ACD/KOC (pH 5.5): 2497.27; (8)ACD/KOC (pH 7.4): 2497.27; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.452; (14)Molar Refractivity: 38.28 cm3; (15)Molar Volume: 141.7 cm3; (16)Polarizability: 15.17×10-24cm3; (17)Surface Tension: 27 dyne/cm; (18)Enthalpy of Vaporization: 36.5 kJ/mol; (19)Vapour Pressure: 6.66 mmHg at 25 °C.

Preparation of 2-(Trifluoromethoxy)chlorobenzene: it is prepared by reaction of (2-chloro-phenyl)-trichloromethyl ether. The reaction needs reagent HF at the temperature of 140 °C for 4.5 hours, and the reaction pressure is 19501.6 . The yield is about 82%.

2-(Trifluoromethoxy)chlorobenzene is prepared by reaction of (2-chloro-phenyl)-trichloromethyl ether.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1OC(F)(F)F
(2)InChI: InChI=1/C7H4ClF3O/c8-5-3-1-2-4-6(5)12-7(9,10)11/h1-4H
(3)InChIKey: NZRLCYJRHKUVCV-UHFFFAOYAY

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