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Substance Name: Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-
RN: 2012-74-0
InChIKey: VTJMSIIXXKNIDJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H13-Cl-O2

Molecular Weight

  • 212.675
 
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Names and Synonyms

Synonyms

  • 2-(p-Chlorophenyl)-3-methylbutyric acid
  • alpha-Isopropyl-p-chlorophenylacetic acid
  • Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-
  • EINECS 217-934-1

Systematic Names

  • 2-(4-Chlorophenyl)-3-methylbutyric acid
  • Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-
  • Butyric acid, 2-(p-chlorophenyl)-3-methyl-

Registry Numbers

CAS Registry Number

  • 2012-74-0

Other Registry Number

  • 55291-27-5

System Generated Number

  • 0002012740

Structure Descriptors

InChI

1S/C11H13ClO2/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3,(H,13,14)

InChIKey

VTJMSIIXXKNIDJ-UHFFFAOYSA-N

Smiles

c1([C@@H](C(C)C)C(O)=O)ccc(Cl)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 500mg/kg (500mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 26, Pg. 954, 1978.
mouse LD50 unreported 339mg/kg (339mg/kg)   Farmaco, Edizione Scientifica. Vol. 16, Pg. 23, 1961.