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Substance Name: 2,3,4,6-Tetrachlorophenol
RN: 58-90-2
UNII: 2442S914FX
InChIKey: VGVRPFIJEJYOFN-UHFFFAOYSA-N

Molecular Formula

  • C6-H2-Cl4-O

Molecular Weight

  • 231.893
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Fungicide, Bactericide, Wood Preservative
  • Mutation Data
  • Reproductive Effect
  • Tumor Data

Superlist Classification Code

  • Reportable Quantity (RQ) = 10 lb
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Names and Synonyms

Name of Substance

  • 2,3,4,6-Tetrachlorophenol

Synonyms

  • 1-Hydroxy-2,3,4,6-tetrachlorobenzene
  • 2,3,4,6-Tetrachlorophenol
  • 2,4,5,6-Tetrachlorophenol
  • 4-06-00-01021 (Beilstein Handbook Reference)
  • AI3-00073
  • BRN 0779754
  • CCRIS 2512
  • Dowicide 6
  • EINECS 200-402-8
  • HSDB 1338
  • KY 5
  • NSC 2428
  • Phenol, 2,3,4,6-tetrachloro-
  • RCRA waste number U212
  • UNII-2442S914FX

Systematic Names

  • 2,3,4,6-Tetrachlorophenol
  • Phenol, 2,3,4,6-tetrachloro-

Superlist Names

  • 2,3,4,6-Tetrachlorophenol
  • 2,3,4,6-Tetrachlorophenol [Polychlorophenols and their sodium salts]
  • Phenol, 2,3,4,6-tetrachloro-
  • RCRA waste no. U212

Registry Numbers

CAS Registry Number

  • 58-90-2

FDA UNII

  • 2442S914FX

Other Registry Number

  • 12698-64-5

Related Registry Number

  • 131-61-3 (hydrochloride salt)

System Generated Number

  • 0000058902

Structure Descriptors

InChI

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

InChIKey

VGVRPFIJEJYOFN-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
gerbil LD50 oral 698mg/kg (698mg/kg)   Archives of Toxicology. Vol. 40, Pg. 63, 1978.
guinea pig LD50 oral 250mg/kg (250mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C299, 1991.
mouse LD50 intraperitoneal 82mg/kg (82mg/kg)   Archives of Toxicology. Vol. 40, Pg. 63, 1978.
mouse LD50 oral 131mg/kg (131mg/kg)   Archives of Toxicology. Vol. 40, Pg. 63, 1978.
rabbit LD50 skin 250mg/kg (250mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 129, 1959.
rat LD50 intraperitoneal 130mg/kg (130mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
British Journal of Pharmacology and Chemotherapy. Vol. 13, Pg. 20, 1958.
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 LD50 skin 485mg/kg (485mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Bulletin of Environmental Contamination and Toxicology. Vol. 31, Pg. 680, 1983.
rat LDLo subcutaneous 210mg/kg (210mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 129, 1959.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 70 deg C   EXP
pKa Dissociation Constant 5.22 (none)   EXP
log P (octanol-water) 4.45 (none)   EXP
Water Solubility 23 mg/L 25 EXP
Henry's Law Constant 8.84E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.76E-13 cm3/molecule-sec 25 EST

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