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Substance Name: 2,4,6-Trichlorophenoxyacetic acid
RN: 575-89-3
UNII: A84A99QB9O
InChIKey: KZDCLQBOHGBWOI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H5-Cl3-O3

Molecular Weight

  • 255.4835
 
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Names and Synonyms

Name of Substance

  • 2,4,6-Trichlorophenoxyacetic acid

Synonyms

  • (2,4,6-Trichlorophenoxy)acetic acid
  • 2,4,6-T
  • 4-06-00-01011 (Beilstein Handbook Reference)
  • AI3-09412
  • BRN 1117315
  • EINECS 209-394-0
  • NSC 61993
  • UNII-A84A99QB9O

Systematic Names

  • 2,4,6-Trichlorophenoxyacetic acid
  • Acetic acid, (2,4,6-trichlorophenoxy)-

Registry Numbers

CAS Registry Number

  • 575-89-3

FDA UNII

  • A84A99QB9O

System Generated Number

  • 0000575893

Structure Descriptors

InChI

1S/C8H5Cl3O3/c9-4-1-5(10)8(6(11)2-4)14-3-7(12)13/h1-2H,3H2,(H,12,13)

InChIKey

KZDCLQBOHGBWOI-UHFFFAOYSA-N

Smiles

c1c(cc(c(c1Cl)OCC(=O)O)Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   Antibiotics and Chemotherapy Vol. 9, Pg. 715, 1959.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.260 (none)   EST
Water Solubility 248 mg/L 25 EXP
Vapor Pressure 1.32E-05 mm Hg 25 EST
Henry's Law Constant 6.83E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.38E-12 cm3/molecule-sec 25 EST

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