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Substance Name: p-Chloroacetanilide
RN: 539-03-7
UNII: 6I0LI34G5J
InChIKey: GGUOCFNAWIODMF-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C8-H8-Cl-N-O

Molecular Weight

  • 169.6102
 
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Names and Synonyms

Name of Substance

  • 4-Chloroacetanilide
  • p-Chloroacetanilide

Synonyms

  • 4-12-00-01178 (Beilstein Handbook Reference)
  • 4-Chloroacetanilide
  • Acetamide, N-(4-chlorophenyl)-
  • Acetanilide, 4'-chloro-
  • Acetic acid, amide, N(4-chlorophenyl)-
  • Acetic-4-chloroanilide
  • AI3-00509
  • BRN 0509638
  • EINECS 208-707-8
  • HSDB 1410
  • N-(4-Chlorophenyl)acetamide
  • N-(p-Chlorophenyl)acetamide
  • N-Acetyl-p-chloroaniline
  • NSC 40563
  • p-Chloroacetanilide
  • UNII-6I0LI34G5J

Systematic Names

  • 4'-Chloroacetanilide
  • Acetamide, N-(4-chlorophenyl)-
  • Acetanilide, 4'-chloro-

Registry Numbers

CAS Registry Number

  • 539-03-7

FDA UNII

  • 6I0LI34G5J

System Generated Number

  • 0000539037

Structure Descriptors

InChI

1S/C8H8ClNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)

InChIKey

GGUOCFNAWIODMF-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 730mg/kg (730mg/kg)   "Chemistry and Biology of Hydroxamic Acids, Proceedings of the International Symposium, 1st, Dayton, OH, 1981," Kehl, H., ed., Basel, Switzerland, S. Karger AG, 1982Vol. 1, Pg. 140, 1982.
rat LD50 intraperitoneal 245mg/kg (245mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 48, Pg. 204, 1959.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 179 deg C   EXP
Boiling Point 333 deg C   EXP
log P (octanol-water) 2.09 (none)   EXP
Water Solubility 950 mg/L 65 EXP
Vapor Pressure 9.63E-05 mm Hg 25 EST
Henry's Law Constant 4.57E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.73E-12 cm3/molecule-sec 25 EST

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