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Substance Name: Salicylic acid, dichloroacetate
RN: 3545-41-3
InChIKey: MQTWHLCJRJABMW-UHFFFAOYSA-N

Molecular Formula

  • C9-H6-Cl2-O4

Molecular Weight

  • 249.048
 
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Names and Synonyms

Synonyms

  • 3-10-00-00104 (Beilstein Handbook Reference)
  • Acetic acid, dichloro-, ester with salicylic acid
  • BRN 2585972
  • O-Dichloroacetylsalicylic acid

Systematic Name

  • Salicylic acid, dichloroacetate

Registry Numbers

CAS Registry Number

  • 3545-41-3

System Generated Number

  • 0003545413

Structure Descriptors

InChI

1S/C9H6Cl2O4/c10-7(11)9(14)15-6-4-2-1-3-5(6)8(12)13/h1-4,7H,(H,12,13)

InChIKey

MQTWHLCJRJABMW-UHFFFAOYSA-N

Smiles

c1(c(OC(C(Cl)Cl)=O)cccc1)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 300mg/kg (300mg/kg)   Journal of the American Chemical Society. Vol. 63, Pg. 1437, 1941.