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Substance Name: 3,4-Dichlorophenyltrichloromethane
RN: 13014-24-9
UNII: 79ZZO7J7BA
InChIKey: ATYLRBXENHNROH-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C7-H3-Cl5

Molecular Weight

  • 264.366
 
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Names and Synonyms

Name of Substance

  • 3,4-Dichlorophenyltrichloromethane

Synonyms

  • 1,2-Dichloro-4-trichloromethylbenzene
  • 3,4-Dichlorobenzotrichloride
  • 3,4-Dichlorophenyltrichloromethane
  • 3,4-Dichlorotrichloromethylbenzene
  • 4-05-00-00824 (Beilstein Handbook Reference)
  • AI3-02582
  • alpha,alpha,alpha,3,4-Pentachlorotoluene
  • BRN 2444802
  • CCRIS 6088
  • EC 235-869-7
  • EINECS 235-869-7
  • NSC 163901
  • Toluene, alpha,alpha,alpha,3,4-pentachloro-
  • UNII-79ZZO7J7BA

Systematic Names

  • 1,2-Dichloro-4-(trichloromethyl)benzene
  • 3,4,alpha,alpha,alpha-Pentachlorotoluene
  • Benzene, 1,2-dichloro-4-(trichloromethyl)-
  • Toluene, alpha,alpha,alpha,3,4-pentachloro- (8CI)

Registry Numbers

CAS Registry Number

  • 13014-24-9

FDA UNII

  • 79ZZO7J7BA

System Generated Number

  • 0013014249

Structure Descriptors

InChI

1S/C7H3Cl5/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H

InChIKey

ATYLRBXENHNROH-UHFFFAOYSA-N

Smiles

C(c1cc(c(Cl)cc1)Cl)(Cl)(Cl)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 25.8 deg C   EXP
Boiling Point 283.1 deg C   EXP
log P (octanol-water) 5.180 (none)   EST
Atmospheric OH Rate Constant 7.34E-14 cm3/molecule-sec 25 EST

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