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Substance Name: Benzene, 1-chloro-2-(trichloromethyl)-
RN: 2136-89-2
InChIKey: MFHPYLFZSCSNST-UHFFFAOYSA-N

Molecular Formula

  • C7-H4-Cl4

Molecular Weight

  • 229.921
 
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Names and Synonyms

Synonyms

  • 1-Chloro-2-(trichloromethyl)benzene
  • 2-Chlorobenzotrichloride
  • AI3-02820
  • alpha,alpha,alpha,2-Tetrachlorotoluene
  • EC 218-377-7
  • EINECS 218-377-7
  • NSC 59736
  • o-Chlorobenzotrichloride
  • o-Chlorobenzylidyne chloride
  • o-Chlorophenyltrichloromethane

Systematic Names

  • alpha,alpha,alpha,2-Tetrachlorotoluene
  • Benzene, 1-chloro-2-(trichloromethyl)-
  • Toluene, o,alpha,alpha,alpha-tetrachloro- (8CI)

Registry Numbers

CAS Registry Number

  • 2136-89-2

System Generated Number

  • 0002136892

Structure Descriptors

InChI

1S/C7H4Cl4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H

InChIKey

MFHPYLFZSCSNST-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 29.4 deg C   EXP
Boiling Point 264.3 deg C   EXP
log P (octanol-water) 4.540 (none)   EST
Water Solubility 4.040 mg/L 25 EST
Henry's Law Constant 1.93E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.51E-13 cm3/molecule-sec 25 EST

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