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Substance Name: 2,2-Dichloroacetophenone
RN: 2648-61-5
UNII: 3VJ32JJ8LH
InChIKey: CERJZAHSUZVMCH-UHFFFAOYSA-N

Molecular Formula

  • C8-H6-Cl2-O

Molecular Weight

  • 189.04
 
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Names and Synonyms

Name of Substance

  • 2,2-Dichloroacetophenone

Synonyms

  • 1,1-Dichloroacetophenone
  • 2,2-Dichloro-1-phenylethanone
  • 2,2-Dichloroacetophenone
  • 4-07-00-00644 (Beilstein Handbook Reference)
  • alpha,alpha-Dichloroacetophenone
  • BRN 1864186
  • NSC 53617
  • Phenacylidene chloride
  • UNII-3VJ32JJ8LH

Systematic Names

  • Acetophenone, 2,2-dichloro-
  • Ethanone, 2,2-dichloro-1-phenyl-

Registry Numbers

CAS Registry Number

  • 2648-61-5

FDA UNII

  • 3VJ32JJ8LH

System Generated Number

  • 0002648615

Structure Descriptors

InChI

1S/C8H6Cl2O/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,8H

InChIKey

CERJZAHSUZVMCH-UHFFFAOYSA-N

Smiles

C(C(Cl)Cl)(=O)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LCLo inhalation 940mg/m3/10M (940mg/m3)   National Defense Research Committee, Office of Scientific Research and Development, Progress Report.Vol. NDCrc-132, Pg. AUG1942,
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03021,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 20.5 deg C   EXP
Boiling Point 249 deg C   EXP
log P (octanol-water) 2.110 (none)   EST
Atmospheric OH Rate Constant 1.99E-12 cm3/molecule-sec 25 EST

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