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Substance Name: 3-Chloro-4-hydroxyphenylacetic acid
RN: 33697-81-3
InChIKey: IYTUKSIOQKTZEG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H7-Cl-O3

Molecular Weight

  • 186.593
 
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Names and Synonyms

Name of Substance

  • 3-Chloro-4-hydroxyphenylacetic acid

Synonyms

  • (3-Chloro-4-hydroxyphenyl)acetic acid
  • 3-10-00-00440 (Beilstein Handbook Reference)
  • 3-Chloro-4-hydroxybenzeneacetic acid
  • 4-Hcpa
  • 4-Hydroxy-3-chlorophenylacetic acid
  • Acetic acid, (3-chloro-4-hydroxyphenyl)-
  • BRN 2096929
  • EINECS 251-643-0
  • Kyselina 3-chlor-4-hydroxyfenyloctova
  • Kyselina 3-chlor-4-hydroxyfenyloctova [Czech]
  • VUFB9649

Systematic Names

  • Benzeneacetic acid, 3-chloro-4-hydroxy-
  • m-Chloro-p-hydroxyphenylacetic acid

Registry Numbers

CAS Registry Number

  • 33697-81-3

System Generated Number

  • 0033697813

Structure Descriptors

InChI

1S/C8H7ClO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12)

InChIKey

IYTUKSIOQKTZEG-UHFFFAOYSA-N

Smiles

c1(c(ccc(c1)CC(=O)O)O)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2200mg/kg (2200mg/kg)   Drugs under Experimental and Clinical Research. Vol. 2, Pg. 9, 1977.
rat LD50 intravenous 1400mg/kg (1400mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 17, Pg. 2087, 1975.