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Substance Name: m-Chlorobenzoic acid
RN: 535-80-8
UNII: 02UOJ7064K
InChIKey: LULAYUGMBFYYEX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H5-Cl-O2

Molecular Weight

  • 156.5675
 
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Names and Synonyms

Name of Substance

  • 3-Chlorobenzoic acid
  • m-Chlorobenzoic acid

Synonyms

  • 3-Chlorobenzoic acid
  • 4-27-00-07875 (Beilstein Handbook Reference)
  • Acido m-clorobenzoico
  • Acido m-clorobenzoico [Italian]
  • AI3-17210
  • Benzoic acid, 3-chloro-
  • Benzoic acid, m-chloro-
  • BRN 0907218
  • CCRIS 5992
  • EINECS 208-618-4
  • HSDB 6018
  • m-Chlorobenzoic acid
  • NSC 8443
  • UNII-02UOJ7064K

Systematic Names

  • 3-Chlorobenzoic acid
  • Benzoic acid, 3-chloro-
  • Benzoic acid, m-chloro-
  • m-Chlorobenzoic acid

Registry Numbers

CAS Registry Number

  • 535-80-8

FDA UNII

  • 02UOJ7064K

System Generated Number

  • 0000535808

Structure Descriptors

InChI

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

InChIKey

LULAYUGMBFYYEX-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 750mg/kg (750mg/kg)   Bollettino Chimico Farmaceutico. Vol. 112, Pg. 53, 1973.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 158 deg C   EXP
pKa Dissociation Constant 3.81 (none) 25 EXP
log P (octanol-water) 2.68 (none)   EXP
Water Solubility 450 mg/L 25 EXP
Vapor Pressure 2.33E-03 mm Hg 25 EST
Henry's Law Constant 3.88E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.23E-13 cm3/molecule-sec 25 EST

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