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Substance Name: o-Chlorobenzoic acid
RN: 118-91-2
UNII: 8P0867193V
InChIKey: IKCLCGXPQILATA-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C7-H5-Cl-O2

Molecular Weight

  • 156.5675
 
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Names and Synonyms

Name of Substance

  • 2-Chlorobenzoic acid
  • o-Chlorobenzoic acid

Synonyms

  • 2-Cba
  • 2-Chlorobenzoic acid
  • 4-27-00-07875 (Beilstein Handbook Reference)
  • AI3-03714
  • Benzoic acid, 2-chloro-
  • Benzoic acid, o-chloro-
  • BRN 0907340
  • CCRIS 5993
  • EINECS 204-285-4
  • HSDB 6017
  • Kyselina o-chlorbenzoova
  • Kyselina o-chlorbenzoova [Czech]
  • NSC 15042
  • o-Chlorobenzoic acid
  • UNII-8P0867193V

Systematic Names

  • 2-Chlorobenzoic acid
  • Benzoic acid, 2-chloro-
  • Benzoic acid, o-chloro-
  • o-Chlorobenzoic acid

Superlist Name

  • o-Chlorobenzoic acid

Registry Numbers

CAS Registry Number

  • 118-91-2

FDA UNII

  • 8P0867193V

Related Registry Number

  • 7250-60-4 (nickel(2+)-salt)

System Generated Number

  • 0000118912

Structure Descriptors

InChI

1S/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)

InChIKey

IKCLCGXPQILATA-UHFFFAOYSA-N

Smiles

c1(c(cccc1)Cl)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 18, 1953.
rat LD50 intraperitoneal 2300mg/kg (2300mg/kg)   Bollettino Chimico Farmaceutico. Vol. 112, Pg. 53, 1973.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 140.2 deg C   EXP
Boiling Point 287 deg C   EXP
pKa Dissociation Constant 2.89 (none) 25 EXP
log P (octanol-water) 2.05 (none)   EXP
Water Solubility 2090 mg/L 25 EXP
Henry's Law Constant 6.50E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.62E-13 cm3/molecule-sec 25 EST

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