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Substance Name: 3-Chloro-2-methylbenzoic acid
RN: 7499-08-3
InChIKey: HXGHMCLCSPQMOR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H7-Cl-O2

Molecular Weight

  • 170.594
 
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Names and Synonyms

Name of Substance

  • 3-Chloro-2-methylbenzoic acid

Synonyms

  • 3-Chloro-2-methylbenzoic acid
  • 3-Chloro-o-toluic acid
  • 4-09-00-01705 (Beilstein Handbook Reference)
  • Benzoic acid, 3-chloro-2-methyl-
  • BRN 1072826
  • NSC 407522

Systematic Names

  • Benzoic acid, 3-chloro-2-methyl- (9CI)
  • o-Toluic acid, 3-chloro-

Registry Numbers

CAS Registry Number

  • 7499-08-3

System Generated Number

  • 0007499083

Structure Descriptors

InChI

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

InChIKey

HXGHMCLCSPQMOR-UHFFFAOYSA-N

Smiles

c1(c(c(Cl)ccc1)C)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 422mg/kg (422mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: REGIDITY
Journal of Medicinal Chemistry. Vol. 11, Pg. 1020, 1968.