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Substance Name: 2,3,6-Trichlorophenol
RN: 933-75-5
UNII: AE2CMR564U
InChIKey: XGCHAIDDPMFRLJ-UHFFFAOYSA-N

Note

  • Testing required upon production or importation

Molecular Formula

  • C6-H3-Cl3-O

Molecular Weight

  • 197.4477
 

Classification Codes

Classification Codes

  • Mutation Data
  • TSCA Flag T (Subject to the Final TSCA Section 4 Test Rule)

Superlist Classification Code

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

Name of Substance

  • 2,3,6-Trichlorophenol

Synonyms

  • 2,3,6-Trichlorophenol
  • 4-06-00-00962 (Beilstein Handbook Reference)
  • BRN 1867596
  • CCRIS 1937
  • EINECS 213-271-7
  • HSDB 5773
  • Phenol, 2,3,6-trichloro-
  • UNII-AE2CMR564U

Systematic Names

  • 2,3,6-Trichlorophenol
  • Phenol, 2,3,6-trichloro-

Superlist Names

  • 2,3,6-Trichlorophenol
  • Phenol, 2,3,6-trichloro-

Registry Numbers

CAS Registry Number

  • 933-75-5

FDA UNII

  • AE2CMR564U

System Generated Number

  • 0000933755

Structure Descriptors

InChI

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

InChIKey

XGCHAIDDPMFRLJ-UHFFFAOYSA-N

Smiles

c1(c(c(ccc1Cl)Cl)Cl)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 308mg/kg (308mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
British Journal of Pharmacology and Chemotherapy. Vol. 13, Pg. 20, 1958.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 58 deg C   EXP
pKa Dissociation Constant 5.8 (none)   EXP
log P (octanol-water) 3.77 (none)   EXP
Water Solubility 450 mg/L 25 EXP
Vapor Pressure 2.46E-03 mm Hg 25 EST
Henry's Law Constant 2.28E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.14E-12 cm3/molecule-sec 25 EST

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