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Substance Name: Chloroacetamide
RN: 79-07-2
UNII: 2R97846T1L
InChIKey: VXIVSQZSERGHQP-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C2-H4-Cl-N-O

Molecular Weight

  • 93.5126
 
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Names and Synonyms

Name of Substance

  • Acetamide, 2-chloro-
  • Chloroacetamide

Synonyms

  • 2-Chloracetamide
  • 2-Chloroacetamide
  • 2-Chloroethanamide
  • 4-02-00-00490 (Beilstein Handbook Reference)
  • AI3-60133
  • BRN 0878191
  • Chloracetamid
  • Chloracetamid [German]
  • Chloracetamide
  • Chloroacetamide
  • EC 201-174-2
  • EINECS 201-174-2
  • HSDB 7449
  • Mergal AF
  • Microcide
  • NSC 54286
  • UNII-2R97846T1L
  • USAF DO-29

Systematic Names

  • 2-Chloroacetamide
  • Acetamide, 2-chloro-

Superlist Name

  • 2-Chloroacetamide

Registry Numbers

CAS Registry Number

  • 79-07-2

FDA UNII

  • 2R97846T1L

System Generated Number

  • 0000079072

Structure Descriptors

InChI

1S/C2H4ClNO/c3-1-2(4)5/h1H2,(H2,4,5)

InChIKey

VXIVSQZSERGHQP-UHFFFAOYSA-N

Smiles

C(CCl)(N)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral 31mg/kg (31mg/kg)   Zhonghua Yixue Zazhi. Chinese Medical Journal. Vol. 58, Pg. 462, 1978.
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03764,
mouse LD50 oral 155mg/kg (155mg/kg)   Zhonghua Yixue Zazhi. Chinese Medical Journal. Vol. 58, Pg. 462, 1978.
rabbit LD50 oral 122mg/kg (122mg/kg)   Zhonghua Yixue Zazhi. Chinese Medical Journal. Vol. 58, Pg. 462, 1978.
rat LD50 oral 138mg/kg (138mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: ATAXIA
National Technical Information Service. Vol. OTS0536947,
rat LD50 unreported 70mg/kg (70mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 1073, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 121 deg C   EXP
Boiling Point 225 deg C   EXP
log P (octanol-water) -0.53 (none)   EXP
Water Solubility 9.00E+04 mg/L 24 EXP
Vapor Pressure 0.052 mm Hg 25 EST
Henry's Law Constant 3.94E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.27E-12 cm3/molecule-sec 25 EST

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