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Substance Name: 2-Chloro-N-phenylacetamide
RN: 587-65-5
UNII: 2R6RM9R0W8
InChIKey: VONWPEXRCLHKRJ-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

  • 2-Chloro-N-phenylacetamide
  • 2-Chloroacetanilide

Synonyms

  • 2-Chloro-N-phenylacetamide
  • 2-Chloroacetanilide
  • 4-12-00-00377 (Beilstein Handbook Reference)
  • Acetamide, 2-chloro-N-phenyl-
  • Acetanilide, 2-chloro-
  • AI3-01088
  • BRN 0509684
  • Chloroacetanilide
  • EINECS 209-604-0
  • HSDB 1411
  • N-Phenyl-2-chloroacetamide
  • N-Phenylchloroacetamide
  • NSC 311
  • UNII-2R6RM9R0W8

Systematic Names

  • 2-Chloroacetanilide
  • Acetamide, 2-chloro-N-phenyl-
  • Acetamide, 2-chloro-N-phenyl- (9CI)
  • Acetanilide, 2-chloro-

Superlist Name

  • 2-Chloroacetanilide

Registry Numbers

CAS Registry Number

  • 587-65-5

FDA UNII

  • 2R6RM9R0W8

System Generated Number

  • 0000587655

Structure Descriptors

InChI

1S/C8H8ClNO/c9-6-8(11)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)

InChIKey

VONWPEXRCLHKRJ-UHFFFAOYSA-N

Smiles

c1(NC(CCl)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 900mg/kg (900mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 48, Pg. 204, 1959.
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00010,
rat LD50 intraperitoneal 810mg/kg (810mg/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 87 deg C   EXP
log P (octanol-water) 1.63 (none)   EXP
Water Solubility 2500 mg/L 25 EST
Vapor Pressure 4.33E-05 mm Hg 25 EST
Henry's Law Constant 2.17E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.27E-11 cm3/molecule-sec 25 EST

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