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Substance Name: 1,1-Dichloroacetone
RN: 513-88-2
UNII: MCU87D3FRT
InChIKey: CSVFWMMPUJDVKH-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C3-H4-Cl2-O

Molecular Weight

  • 126.97
 
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Names and Synonyms

Name of Substance

  • 1,1-Dichloroacetone

Synonyms

  • 1,1-Dichloro-2-propanone
  • 1,1-Dichloroacetone
  • 1,1-Dichloropropanone
  • 4-01-00-03218 (Beilstein Handbook Reference)
  • AI3-52312
  • alpha,alpha-Dichloroacetone
  • BRN 1740214
  • CCRIS 1941
  • Dichloromethyl methyl ketone
  • Dichloropropanone
  • EINECS 208-175-7
  • HSDB 7624
  • NSC 42725
  • UNII-MCU87D3FRT

Systematic Names

  • 1,1-Dichloroacetone
  • 1,1-Dichloropropanone
  • 2-Propanone, 1,1-dichloro-

Registry Numbers

CAS Registry Number

  • 513-88-2

FDA UNII

  • MCU87D3FRT

System Generated Number

  • 0000513882

Structure Descriptors

InChI

1S/C3H4Cl2O/c1-2(6)3(4)5/h3H,1H3

InChIKey

CSVFWMMPUJDVKH-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 250mg/kg (250mg/kg)   EHP, Environmental Health Perspectives. Vol. 69, Pg. 203, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 120 deg C   EXP
log P (octanol-water) 0.200 (none)   EST
Water Solubility 6.38E+04 mg/L 25 EST
Vapor Pressure 27 mm Hg 25 EXP
Henry's Law Constant 6.15E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.65E-13 cm3/molecule-sec 25 EST

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