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Substance Name: 2,3,5,6-Tetrachlorophenol
RN: 935-95-5
UNII: SW5F2W8SDJ
InChIKey: KEWNKZNZRIAIAK-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C6-H2-Cl4-O

Molecular Weight

  • 231.893
 
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Names and Synonyms

Name of Substance

  • 2,3,5,6-Tetrachlorophenate
  • 2,3,5,6-Tetrachlorophenol

Synonyms

  • 2,3,5,6-Tetrachlorophenol
  • 4-06-00-01025 (Beilstein Handbook Reference)
  • AI3-22331
  • BRN 2049586
  • CCRIS 4723
  • EINECS 213-310-8
  • HSDB 6766
  • NSC 407823
  • Phenol, 2,3,5,6-tetrachloro-
  • UNII-SW5F2W8SDJ

Systematic Names

  • 2,3,5,6-Tetrachlorophenol
  • Phenol, 2,3,5,6-tetrachloro-

Registry Numbers

CAS Registry Number

  • 935-95-5

FDA UNII

  • SW5F2W8SDJ

System Generated Number

  • 0000935955

Structure Descriptors

InChI

1S/C6H2Cl4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H

InChIKey

KEWNKZNZRIAIAK-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
gerbil LD50 oral 979mg/kg (979mg/kg)   Archives of Toxicology. Vol. 40, Pg. 63, 1978.
mouse LD50 intraperitoneal 48mg/kg (48mg/kg)   Archives of Toxicology. Vol. 40, Pg. 63, 1978.
mouse LD50 oral 109mg/kg (109mg/kg)   Archives of Toxicology. Vol. 40, Pg. 63, 1978.
rat LDLo skin 2gm/kg (2000mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE WEAKNESS
Bulletin of Environmental Contamination and Toxicology. Vol. 31, Pg. 680, 1983.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 115 deg C   EXP
pKa Dissociation Constant 5.14 (none)   EXP
log P (octanol-water) 3.88 (none)   EXP
Water Solubility 54.9 mg/L 25 EST
Vapor Pressure 3.39E-04 mm Hg 25 EST
Henry's Law Constant 1.69E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.55E-12 cm3/molecule-sec 25 EST

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