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Substance Name: m-Chloroacetanilide
RN: 588-07-8
UNII: 74H09HU61J
InChIKey: MUUQHCOAOLLHIL-UHFFFAOYSA-N

Molecular Formula

  • C8-H8-Cl-N-O

Molecular Weight

  • 169.6102
 
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Names and Synonyms

Name of Substance

  • 3-Chloroacetanilide
  • m-Chloroacetanilide

Synonyms

  • 3-Chloroacetanilide
  • 4-12-00-01144 (Beilstein Handbook Reference)
  • Acetamide, N-(3-chlorophenyl)-
  • Acetanilide, 3'-chloro-
  • Acetic acid, amide, N(3-chlorophenyl)-
  • BRN 2208105
  • EINECS 209-610-3
  • HSDB 1409
  • m-Chloroacetanilide
  • meta-Chloroacetanilide
  • N-(3-Chlorophenyl)acetamide
  • NSC 39967
  • NSC 6116
  • UNII-74H09HU61J

Systematic Names

  • 3'-Chloroacetanilide
  • Acetamide, N-(3-chlorophenyl)-
  • Acetanilide, 3'-chloro-

Registry Numbers

CAS Registry Number

  • 588-07-8

FDA UNII

  • 74H09HU61J

System Generated Number

  • 0000588078

Structure Descriptors

InChI

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

InChIKey

MUUQHCOAOLLHIL-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 610mg/kg (610mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 48, Pg. 204, 1959.
rat LD50 intraperitoneal 350mg/kg (350mg/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 80 deg C   EXP
log P (octanol-water) 2.15 (none)   EXP
Water Solubility 901 mg/L 25 EST
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 8.84E-12 cm3/molecule-sec 25 EST

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