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Substance Name: 2-Chloro-4-aminobenzoic acid
RN: 2457-76-3
UNII: Y3S6924IA6
InChIKey: MBDUKNCPOPMRJQ-UHFFFAOYSA-N

Note

  • Urinary metabolite of chloroprocaine.

Classification Code

  • Mutation Data

Molecular Formula

  • C7-H6-Cl-N-O2

Molecular Weight

  • 171.5824
 
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Names and Synonyms

Name of Substance

  • 2-Chloro-4-aminobenzoic acid

Synonyms

  • 2-Chloro-4-aminobenzoic acid
  • 2-Chloro-p-aminobenzoic acid
  • 4-14-00-01272 (Beilstein Handbook Reference)
  • AI3-52324
  • Benzoic acid, 4-amino-2-chloro-
  • BRN 2803668
  • EINECS 219-540-5
  • NSC 33944
  • NSC 53160
  • NSC 64328
  • o-Chloro-p-aminobenzoic acid
  • UNII-Y3S6924IA6
  • USAF NB-1

Systematic Names

  • 4-Amino-2-chlorobenzoic acid
  • Benzoic acid, 4-amino-2-chloro-

Registry Numbers

CAS Registry Number

  • 2457-76-3

FDA UNII

  • Y3S6924IA6

System Generated Number

  • 0002457763

Structure Descriptors

InChI

1S/C7H6ClNO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,9H2,(H,10,11)

InChIKey

MBDUKNCPOPMRJQ-UHFFFAOYSA-N

Smiles

c1cc(c(cc1N)Cl)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   National Technical Information Service. Vol. AD277-689,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 211 dec deg C   EXP
log P (octanol-water) 1.33 (none)   EXP
Water Solubility 4420 mg/L 25 EST
Vapor Pressure 5.32E-05 mm Hg 25 EST
Henry's Law Constant 2.84E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.86E-11 cm3/molecule-sec 25 EST

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