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Substance Name: Dichloroacetic anhydride
RN: 4124-30-5
UNII: MB3OGR64IN
InChIKey: RQHMQURGSQBBJY-UHFFFAOYSA-N

Note

  • Metabolite of trichloroethene.

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C4-H2-Cl4-O3

Molecular Weight

  • 239.869
 
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Names and Synonyms

Name of Substance

  • Dichloroacetic anhydride

Synonyms

  • 4-02-00-00503 (Beilstein Handbook Reference)
  • Anhydrid kyseliny dichloroctove
  • Anhydrid kyseliny dichloroctove [Czech]
  • BRN 0512173
  • Dichloroacetic acid anhydride
  • Dichloroacetic anhydride
  • EINECS 223-924-8
  • NSC 401832
  • UNII-MB3OGR64IN

Systematic Names

  • 2,2'-Dichloroacetic anhydride
  • Acetic acid, 2,2-dichloro-, 1,1'-anhydride
  • Acetic acid, dichloro-, anhydride

Registry Numbers

CAS Registry Number

  • 4124-30-5

FDA UNII

  • MB3OGR64IN

System Generated Number

  • 0004124305

Structure Descriptors

InChI

1S/C4H2Cl4O3/c5-1(6)3(9)11-4(10)2(7)8/h1-2H

InChIKey

RQHMQURGSQBBJY-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 470uL/kg (0.47mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.
rat LD50 oral 2820mg/kg (2820mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.