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Substance Name: Acetoacetic acid, 4-fluoro-, ethyl ester
RN: 372-37-2
InChIKey: KQBYNGJTZNCQCO-UHFFFAOYSA-N

Molecular Formula

  • C6-H9-F-O3

Molecular Weight

  • 148.132
 
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Names and Synonyms

Synonyms

  • 4-03-00-01546 (Beilstein Handbook Reference)
  • BRN 1761273
  • Ethyl 4-fluoroacetoacetate
  • Ethyl omega-fluoroacetoacetate
  • NSC 523377

Systematic Names

  • Acetoacetic acid, 4-fluoro-, ethyl ester
  • Butanoic acid, 4-fluoro-3-oxo-, ethyl ester (9CI)

Registry Numbers

CAS Registry Number

  • 372-37-2

System Generated Number

  • 0000372372

Structure Descriptors

InChI

1S/C6H9FO3/c1-2-10-6(9)3-5(8)4-7/h2-4H2,1H3

InChIKey

KQBYNGJTZNCQCO-UHFFFAOYSA-N

Smiles

C(C(OCC)=O)C(CF)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2500ug/kg (2.5mg/kg)   Journal of the American Chemical Society. Vol. 79, Pg. 1959, 1957.