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Substance Name: 2,3,4,5-Tetrachlorophenol
RN: 4901-51-3
UNII: D2UW5NHW9J
InChIKey: RULKYXXCCZZKDZ-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

  • 2,3,4,5-Tetrachlorophenate
  • 2,3,4,5-Tetrachlorophenol

Synonyms

  • 2,3,4,5-Tetrachlorophenol
  • 4-06-00-01020 (Beilstein Handbook Reference)
  • BRN 2049590
  • CCRIS 4722
  • EINECS 225-531-7
  • HSDB 6765
  • Phenol, 2,3,4,5-tetrachloro-
  • UNII-D2UW5NHW9J

Systematic Names

  • 2,3,4,5-Tetrachlorophenol
  • Phenol, 2,3,4,5-tetrachloro-

Registry Numbers

CAS Registry Number

  • 4901-51-3

FDA UNII

  • D2UW5NHW9J

System Generated Number

  • 0004901513

Structure Descriptors

InChI

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

InChIKey

RULKYXXCCZZKDZ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
gerbil LD50 oral 533mg/kg (533mg/kg)   Archives of Toxicology. Vol. 40, Pg. 63, 1978.
mouse LD50 intraperitoneal 97mg/kg (97mg/kg)   Archives of Toxicology. Vol. 40, Pg. 63, 1978.
mouse LD50 oral 400mg/kg (400mg/kg)   Archives of Toxicology. Vol. 40, Pg. 63, 1978.
rat LD50 oral 140mg/kg (140mg/kg)   "Industrial and Environmental Xenobiotics: Metabolism and Pharmacokinetics of Organic Chemicals and Metals, Proceedings of an International Conference, Prague, 1980," Gut, I., et al., Berlin, Fed. Rep, Ger., Springer-Verlag, 1981Vol. -, Pg. 389, 1981.
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 116.5 deg C   EXP
pKa Dissociation Constant 6.35 (none)   EXP
log P (octanol-water) 4.21 (none)   EXP
Water Solubility 28.7 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.