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Substance Name: o-Chlorobenzotrifluoride
RN: 88-16-4
UNII: 0V2SO8M97N
InChIKey: DGRVQOKCSKDWIH-UHFFFAOYSA-N

Molecular Formula

  • C7-H4-Cl-F3

Molecular Weight

  • 180.556
 
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Names and Synonyms

Results Name

  • o-Chlorobenzotrifluoride

Name of Substance

  • 1-Chloro-2-(trifluoromethyl)benzene

Synonyms

  • 1-Chloro-2-(trifluoromethyl)benzene
  • 2-Chloro(trifluoromethyl)benzene
  • 2-Chlorobenzotrifluoride
  • CCRIS 2809
  • Chlorobenzotrifluoride
  • EINECS 201-805-1
  • NSC 10307
  • o-(Trifluoromethyl)chlorobenzene
  • o-(Trifluoromethyl)phenyl chloride
  • o-Chloro-alpha,alpha,alpha-trifluorotoluene
  • o-Chlorobenzotrifluoride
  • UNII-0V2SO8M97N

Systematic Names

  • 2-Chloro-alpha,alpha,alpha-trifluorotoluene
  • 2-Chlorobenzotrifluoride
  • Benzene, 1-chloro-2-(trifluoromethyl)-
  • Toluene, o-chloro-alpha,alpha,alpha-trifluoro- (8CI)

Superlist Names

  • Benzene, 1-chloro-2-(trifluoromethyl)-
  • o-Chlorobenzotrifluoride

Registry Numbers

CAS Registry Number

  • 88-16-4

FDA UNII

  • 0V2SO8M97N

System Generated Number

  • 0000088164

Structure Descriptors

InChI

1S/C7H4ClF3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H

InChIKey

DGRVQOKCSKDWIH-UHFFFAOYSA-N

Smiles

c1(c(cccc1)Cl)C(F)(F)F

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -6.00E+00 deg C   EXP
Boiling Point 152.2 deg C   EXP
log P (octanol-water) 3.53 (none)   EXP
Water Solubility 52.9 mg/L 25 EST
Vapor Pressure 5.08 mm Hg 25 EXP
Henry's Law Constant 0.035 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.76E-13 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.