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Chemical Properties

CAS Registry Number: 79-43-6

Selected information from two of the National Library of Medicine's databases: ChemIDPlus2 and HSDB3.

Names 1

  • 2,2-Dichloroacetic Acid
  • Bichloracetic Acid
  • Bichloroacetic Acid
  • DCA
  • Dichloracetic Acid
  • Dichloroacetic Acid (Water Disinfection Byproducts)
  • Dichloroacetic Acid (Water Disinfection Mode)
  • Dichloroacetic acid
  • Dichloroethanoic acid
  • Water disinfection byproducts (Dichloroacetic acid)
  • Water disinfection model (Dichloroacetic acid)

Structure

Chemical Structure for Chemical Abstracts Service Registry Number 79-43-6 from NLM

Synonyms (Sources: NTP,HSDB,RTECS,MESH)2

  • 2,2-Dichloroacetic acid
  • 4-02-00-00498 (Beilstein Handbook Reference)
  • BRN 1098596
  • Bichloracetic acid
  • DCA (acid)
  • Dichloracetic acid
  • Dichlorethanoic acid
  • Dichloroacetic acid (IUPAC)
  • Dichloroethanoic acid
  • HSDB 6894
  • Kyselina dichloroctova [Czech]
  • Urner's liquid

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Other Registry Numbers2

  • 42428-47-7

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Chemical Properties3

Property Description
Boiling Point
  • 194 deg C at 760 mm Hg; 102 deg C at 20 mm Hg
Color/Form
  • Colorless liquid
Corrosivity
  • Highly corrosive liquid that gives off acidic vapors.
Critical Temperature & Pressure
  • None Found
Density/Specific Gravity
  • 1.5634 at 20 deg C/4 deg C
Dissociation Constants
  • pKa = 1.26
Heat Of Combustion
  • None Found
Heat Of Vaporization
  • None Found
Melting Point
  • Apparently occurs in two crystal forms, mp 9.7 deg C and -4 deg C
Molecular Weight
  • 128.94
Odor
  • Pungent odor
Other Chemical/Physical Properties
  • Henry's Law constant = 8.38X10-9 atm-cu m/mole at 25 deg C
  • Hydroxyl radical reaction rate constant = 7.3X10-13 cu cm/molecule-sec at 25 deg C (est)
  • Liquid molar volume = 0.083010 cu m/kmol; Heat of fusion at melting point = 1.2343X10+7 J/kmol
  • Will react with water or steam to produce toxic and corrosive fumes. When heated to decomposition it emits toxic fumes
Relative Evaporation Rate
  • None Found
Solubilities
  • Miscible with ethanol, diethyl ether; soluble in acetone; slightly soluble in carbon tetrachloride
  • Miscible with water
Spectral Properties
  • 1H NMR: 166 (Sadtler Research Laboratories spectral collection)
  • IR: 2806 (Sadtler Research Laboratories IR prism collection)
  • Index of refraction: 1.4658 at 20 deg C/D
  • MASS: 2775 (NIST/EPA/MSDC Mass Spectral Database, 1990 Version)
Surface Tension
  • None Found
Taste
  • None Found
Vapor Density
  • 4.45 (Air = 1)
Vapor Pressure
  • 0.179 mm Hg at 25 deg C (extrapolated)
Viscosity
  • None Found
log P (octanol-water)
  • log Kow = 0.92
pH
  • None Found

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Uses3

  • ... Used as a test reagent for analytical measurements during fiber manufacture and as a medicinal disinfectant (substitute for formalin). Dichloroacetic acid, particularly in the form of its esters, is an important intermediate in organic synthesis. It is a reactive starting material for the production of glyoxylic acid, dialkoxy and diaroxy acids, and sulfonamides.[Ullmann's Encyclopedia of Industrial Chemistry. 6th ed.Vol 1: Federal Republic of Germany: Wiley-VCH Verlag GmbH & Co. 2003 to Present, p. V8 348 (2003)] **PEER REVIEWED**
  • ... Used in the synthesis of chloramphenicol and allantoin. Dichloroacetic acid has virucidal and fungicidal activity. It was found to be active against several staphylococci. **PEER REVIEWED**
  • Caustic; keratolytic; topical astringent **PEER REVIEWED**
  • Dichloroacetic acid, particularly in the form of its esters, is an intermediate in organic synthesis, used in the production of glyoxylic acid, dialkoxy and diaroxy acids, and sulfonamides and in the preparation of iron chelates in the agricultural sector. It is also used as an analytical reagent in fiber manufacture (polyethylene terephthalate) and as a medicinal disinfectant (substitute for formalin). **PEER REVIEWED**
  • Intermediate, pharmaceuticals, medicine. **PEER REVIEWED**
  • MEDICATION **PEER REVIEWED**
  • Used as a chemical intermediate in the synthesis of dichlormid. **PEER REVIEWED**

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Notes (Sources: NTP,HSDB,RTECS,MESH)2

  • A derivative of ACETIC ACID that contains two CHLORINE atoms attached to its methyl group.

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Superlist Classes2

  • Overall Carcinogenic Evaluation: Group 3
  • TWA 0.5 ppm; skin; Confirmed animal carcinogen with unknown relevance to humans

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Links to Additional Information2

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Footnotes

1 Source: the NTP's CEBS database.

2 Source: the National Library of Medicine's ChemIDPlus, 02/28/2017.

3 Source: the National Library of Medicine's Hazardous Substance Database, 02/28/2017.

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