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Substance Name: 2,4,6-Trichlorophenol
RN: 88-06-2
UNII: MHS8C5BAUZ
InChIKey: LINPIYWFGCPVIE-UHFFFAOYSA-N

Molecular Formula

  • C6-H3-Cl3-O

Molecular Weight

  • 197.4477
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Fungicide, Bactericide, Wood Preservative
  • Mutagens
  • Noxae
  • Reproductive Effect
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Codes

  • 2007 CERCLA Priority List, Rank: 86
  • 2011 CERCLA Priority List, Rank: 83
  • Reasonably Anticipated to be a Carcinogen
  • Reportable Quantity (RQ) = 10 lb

Names and Synonyms

Name of Substance

  • 2,4,6-Trichlorophenol

Synonyms

  • 2,4,6-T
  • 2,4,6-Trichlorfenol
  • 2,4,6-Trichlorfenol [Czech]
  • 2,4,6-Trichlorophenol
  • 4-06-00-01005 (Beilstein Handbook Reference)
  • AI3-00142
  • BRN 0776729
  • CCRIS 605
  • Dowicide 2S
  • EINECS 201-795-9
  • HSDB 4013
  • NCI-C02904
  • NSC 2165
  • OMAL
  • Phenachlor
  • Phenaclor
  • RCRA waste number U231
  • UNII-MHS8C5BAUZ

Systematic Names

  • 2,4,6-Trichlorophenol
  • Phenol, 2,4,6-trichloro-

Superlist Names

  • 2,4,6-Trichlorophenol
  • 2,4,6-Trichlorophenol [Polychlorophenols and their sodium salts]
  • Phenol, 2,4,6-trichloro-
  • RCRA waste no. U231

Registry Numbers

CAS Registry Number

  • 88-06-2

FDA UNII

  • MHS8C5BAUZ

Related Registry Numbers

  • 2591-21-1 (potassium salt)
  • 3784-03-0 (hydrochloride salt)

System Generated Number

  • 0000088062

Structure Descriptors

InChI

1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

InChIKey

LINPIYWFGCPVIE-UHFFFAOYSA-N

Smiles

c1(c(cc(Cl)cc1Cl)Cl)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 1gm/kg (1000mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C310, 1991.
mammal (species unspecified) LD50 oral 454mg/kg (454mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(10), Pg. 16, 1980.
mammal (species unspecified) LD50 skin 700mg/kg (700mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(10), Pg. 16, 1980.
rat LD50 intraperitoneal 276mg/kg (276mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR
British Journal of Pharmacology and Chemotherapy. Vol. 13, Pg. 20, 1958.
rat LD50 oral 820mg/kg (820mg/kg)   Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 1176, 1966.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 69 deg C   EXP
Boiling Point 246 deg C   EXP
pKa Dissociation Constant 6.23 (none) 25 EXP
log P (octanol-water) 3.69 (none)   EXP
Water Solubility 800 mg/L 25 EXP
Henry's Law Constant 2.60E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.07E-13 cm3/molecule-sec 25 EST

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