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Substance Name: 3,4,6-Trichlorocatechol
RN: 32139-72-3
InChIKey: LZHZRJKVYOHNTJ-UHFFFAOYSA-N

Note

  • A 2,4,5-TCP metabolite.

Classification Code

  • Mutation Data

Molecular Formula

  • C6-H3-Cl3-O2

Molecular Weight

  • 213.447
 
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Names and Synonyms

Name of Substance

  • 3,4,6-Trichlorocatechol

Synonyms

  • 3,4,6-Trichloro-1,2-benzenediol
  • 3,4,6-Trichlorocatechol
  • 4-06-00-05620 (Beilstein Handbook Reference)
  • BRN 2261080
  • CCRIS 4056

Systematic Names

  • 1,2-Benzenediol, 3,4,6-trichloro-
  • 1,2-Benzenediol, 3,4,6-trichloro- (9CI)
  • 3,4,6-Trichlorocatechol
  • Pyrocatechol, 3,4,6-trichloro-

Registry Numbers

CAS Registry Number

  • 32139-72-3

System Generated Number

  • 0032139723

Structure Descriptors

InChI

1S/C6H3Cl3O2/c7-2-1-3(8)5(10)6(11)4(2)9/h1,10-11H

InChIKey

LZHZRJKVYOHNTJ-UHFFFAOYSA-N

Smiles

c1(c(c(cc(c1Cl)Cl)Cl)O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.6 (none)   EXP
Water Solubility 119 mg/L 25 EST
Vapor Pressure 2.02E-05 mm Hg 25 EST
Henry's Law Constant 2.37E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.60E-12 cm3/molecule-sec 25 EST

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