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Substance Name: Butyric acid, 3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)-
RN: 1547-36-0
InChIKey: NOHJBOWARMTILE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H4-F6-O3

Molecular Weight

  • 226.072
 
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Names and Synonyms

Synonyms

  • 3-Hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)butyric acid
  • BRN 1911706

Systematic Name

  • Butyric acid, 3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)-

Registry Numbers

CAS Registry Number

  • 1547-36-0

System Generated Number

  • 0001547360

Structure Descriptors

InChI

1S/C5H4F6O3/c6-4(7,8)3(14,1-2(12)13)5(9,10)11/h14H,1H2,(H,12,13)

InChIKey

NOHJBOWARMTILE-UHFFFAOYSA-N

Smiles

C(C(F)(F)F)(C(F)(F)F)(CC(O)=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 600mg/kg (600mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1215, 1970.
mouse LD50 oral 1600mg/kg (1600mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1215, 1970.