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Substance Name: Isobutyric acid, hexafluoro-, methyl ester
RN: 360-54-3
InChIKey: JGGBVFLRNNDHCM-UHFFFAOYSA-N

Molecular Formula

  • C5-H4-F6-O2

Molecular Weight

  • 210.073
 
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Names and Synonyms

Synonyms

  • 4-02-00-00856 (Beilstein Handbook Reference)
  • BRN 1787515
  • Methyl 3,3,3-trifluoro-2-(trifluoromethyl)propionate
  • Methyl hexafluoroisobutyrate

Systematic Names

  • Isobutyric acid, hexafluoro-, methyl ester
  • Propanoic acid, 3,3,3-trifluoro-2-(trifluoromethyl)-, methyl ester

Registry Numbers

CAS Registry Number

  • 360-54-3

System Generated Number

  • 0000360543

Structure Descriptors

InChI

1S/C5H4F6O2/c1-13-3(12)2(4(6,7)8)5(9,10)11/h2H,1H3

InChIKey

JGGBVFLRNNDHCM-UHFFFAOYSA-N

Smiles

C(C(C(F)(F)F)C(OC)=O)(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 17mg/kg (17mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: TREMOR
Toxicology and Applied Pharmacology. Vol. 14, Pg. 114, 1969.
mouse LD50 intravenous 15mg/kg (15mg/kg) BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Toxicology and Applied Pharmacology. Vol. 14, Pg. 114, 1969.
mouse LD50 oral 300mg/kg (300mg/kg)   Toxicology and Applied Pharmacology. Vol. 14, Pg. 114, 1969.
mouse LD50 oral 300mg/kg (300mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: TREMOR
Toxicology and Applied Pharmacology. Vol. 14, Pg. 114, 1969.