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Substance Name: Acetic acid, 1-cyano-2,2,2-trifluoro-1-methylethyl ester
RN: 27827-87-8
InChIKey: SYJSGYHJKLGFQT-UHFFFAOYSA-N

Molecular Formula

  • C6-H6-F3-N-O2

Molecular Weight

  • 181.112
 
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Names and Synonyms

Synonyms

  • 2-Acetoxy-2-methyl-3,3,3-trifluoropropionitrile
  • BRN 2085954
  • Propionitrile, 2-hydroxy-2-methyl-3,3,3-trifluoro-, acetate

Systematic Name

  • Acetic acid, 1-cyano-2,2,2-trifluoro-1-methylethyl ester

Registry Numbers

CAS Registry Number

  • 27827-87-8

System Generated Number

  • 0027827878

Structure Descriptors

InChI

1S/C6H6F3NO2/c1-4(11)12-5(2,3-10)6(7,8)9/h1-2H3

InChIKey

SYJSGYHJKLGFQT-UHFFFAOYSA-N

Smiles

O([C@@](C(F)(F)F)(C#N)C)C(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02233,