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Substance Name: p-Toluic acid, 3-chloro-
RN: 5162-82-3
InChIKey: SDKUOEOJAXGCLU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H7-Cl-O2

Molecular Weight

  • 170.594
 
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Names and Synonyms

Synonyms

  • 3-Chloro-4-methylbenzoic acid
  • 3-Chloro-p-toluic acid
  • 4-09-00-01743 (Beilstein Handbook Reference)
  • Benzoic acid, 3-chloro-4-methyl-
  • BRN 1936498

Systematic Name

  • p-Toluic acid, 3-chloro-

Registry Numbers

CAS Registry Number

  • 5162-82-3

System Generated Number

  • 0005162823

Structure Descriptors

InChI

1S/C8H7ClO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)

InChIKey

SDKUOEOJAXGCLU-UHFFFAOYSA-N

Smiles

C(c1cc(Cl)c(cc1)C)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 208mg/kg (208mg/kg)   Progress in Medical Chemistry. Vol. 5, Pg. 59, 1967.