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Substance Name: 3,4,5,6-Tetrachlorocatechol
RN: 1198-55-6
UNII: 5REG09UJO0
InChIKey: RRBMVWQICIXSEO-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C6-H2-Cl4-O2

Molecular Weight

  • 247.892
 
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Names and Synonyms

Name of Substance

  • 3,4,5,6-Tetrachlorocatechol

Synonyms

  • 4-06-00-05620 (Beilstein Handbook Reference)
  • BRN 1876366
  • CCRIS 4061
  • NSC 29027
  • Tetrachloro-1,2-benzenediol
  • Tetrachlorocatechol
  • Tetrachloropyrocatechol
  • Tetrachlorpyrokatechin
  • Tetrachlorpyrokatechin [Czech]
  • Tetrachlorpyrokatechol
  • Tetrachlorpyrokatechol [Czech]
  • UNII-5REG09UJO0

Systematic Names

  • 1,2-Benzenediol, 3,4,5,6-tetrachloro-
  • 3,4,5,6-Tetrachloro-1,2-benzenediol (9CI)
  • Pyrocatechol, tetrachloro-
  • Tetrachlorocatechol

Registry Numbers

CAS Registry Number

  • 1198-55-6

FDA UNII

  • 5REG09UJO0

System Generated Number

  • 0001198556

Structure Descriptors

InChI

1S/C6H2Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h11-12H

InChIKey

RRBMVWQICIXSEO-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 136mg/kg (136mg/kg)   Archives of Toxicology. Vol. 40, Pg. 63, 1978.
mouse LD50 oral 318mg/kg (318mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: TREMOR
Toxicological and Environmental Chemistry. Vol. 11, Pg. 37, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.29 (none)   EXP
Water Solubility 2.7 mg/L   EXP
Vapor Pressure 4.15E-06 mm Hg 25 EST
Henry's Law Constant 1.76E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.25E-12 cm3/molecule-sec 25 EST

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