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Substance Name: p-Chlorobenzoic acid
RN: 74-11-3
UNII: IC7888DF4L
InChIKey: XRHGYUZYPHTUJZ-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

  • 4-Chlorobenzoic acid
  • p-Chlorobenzoic acid

Synonyms

  • 4-09-00-00973 (Beilstein Handbook Reference)
  • 4-Chlorobenzoic acid
  • Acido p-clorobenzoico
  • Acido p-clorobenzoico [Italian]
  • AI3-03715
  • Benzoic acid, 4-chloro-
  • Benzoic acid, p-chloro-
  • BRN 0907196
  • CCRIS 5994
  • Chlorodracylic acid
  • EINECS 200-805-9
  • HSDB 6019
  • NSC 32738
  • p-Carboxychlorobenzene
  • p-Chlorbenzoic acid
  • p-Chlorobenzoic acid
  • para-Chlorobenzoic acid
  • UNII-IC7888DF4L

Systematic Names

  • 4-Chlorobenzoic acid
  • Benzoic acid, 4-chloro-
  • Benzoic acid, p-chloro-
  • p-Chlorobenzoic acid

Registry Numbers

CAS Registry Number

  • 74-11-3

FDA UNII

  • IC7888DF4L

Related Registry Numbers

  • 15516-76-4 (mercury(+2)[2:1] salt)
  • 3686-66-6 (hydrochloride salt)

System Generated Number

  • 0000074113

Structure Descriptors

InChI

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

InChIKey

XRHGYUZYPHTUJZ-UHFFFAOYSA-N

Smiles

c1(C(=O)O)ccc(cc1)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1170mg/kg (1170mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 23, Pg. 724, 1975.
rat LD50 intraperitoneal 1gm/kg (1000mg/kg)   Bollettino Chimico Farmaceutico. Vol. 112, Pg. 53, 1973.
rat LD50 oral 1170mg/kg (1170mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 21, Pg. 794, 1973.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 243 deg C   EXP
pKa Dissociation Constant 3.98 (none) 25 EXP
log P (octanol-water) 2.65 (none)   EXP
Water Solubility 72 mg/L 25 EXP
Vapor Pressure 2.33E-03 mm Hg 25 EST
Henry's Law Constant 8.03E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.63E-01 cm3/molecule-sec 25 EST

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