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Substance Name: Dichloroacetaldehyde
RN: 79-02-7
UNII: 9GT3DHH725
InChIKey: NWQWQKUXRJYXFH-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C2-H2-Cl2-O

Molecular Weight

  • 112.9428
 
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Names and Synonyms

Name of Substance

  • Dichloroacetaldehyde

Synonyms

  • 2,2-Dichloroacetaldehyde
  • 4-01-00-03140 (Beilstein Handbook Reference)
  • Acetaldehyde, dichloro-
  • alpha,alpha-Dichloroacetaldehyde
  • BRN 1739030
  • CCRIS 5387
  • Chloroaldehyde
  • Dichloroacetaldehyde
  • EINECS 201-169-5
  • HSDB 5226
  • NSC 5207
  • UNII-9GT3DHH725

Systematic Names

  • Acetaldehyde, 2,2-dichloro-
  • Acetaldehyde, dichloro-
  • Dichloroacetaldehyde

Superlist Name

  • Dichloroacetaldehyde

Registry Numbers

CAS Registry Number

  • 79-02-7

FDA UNII

  • 9GT3DHH725

System Generated Number

  • 0000079027

Structure Descriptors

InChI

1S/C2H2Cl2O/c3-2(4)1-5/h1-2H

InChIKey

NWQWQKUXRJYXFH-UHFFFAOYSA-N

Smiles

C(C=O)(Cl)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.75E+01 deg C   EXP
Boiling Point 89.2 deg C   EXP
log P (octanol-water) 0.270 (none)   EST
Water Solubility 1.40E+05 mg/L 25 EST
Vapor Pressure 55.4 mm Hg 25 EXP
Henry's Law Constant 8.40E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.30E-12 cm3/molecule-sec 25 EXP

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