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Substance Name: Benzonitrile, p-(4,4,4-trifluoro-3-trifluoromethylcrotonoyl)-
RN: 35444-04-3
InChIKey: YIEXXKXHFFEEFO-UHFFFAOYSA-N

Molecular Formula

  • C12-H5-F6-N-O

Molecular Weight

  • 293.165
 
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Names and Synonyms

Synonyms

  • 4-((3,3,3-Trifluoro-2-trifluoromethyl)propenylcarbonyl)benzonitrile
  • BRN 3063614
  • NSC 162091
  • p-(4,4,4-Trifluoro-3-trifluoromethylcrotonoyl)benzonitrile

Systematic Name

  • Benzonitrile, p-(4,4,4-trifluoro-3-trifluoromethylcrotonoyl)-

Registry Numbers

CAS Registry Number

  • 35444-04-3

System Generated Number

  • 0035444043

Structure Descriptors

InChI

1S/C12H5F6NO/c13-11(14,15)10(12(16,17)18)5-9(20)8-3-1-7(6-19)2-4-8/h1-5H

InChIKey

YIEXXKXHFFEEFO-UHFFFAOYSA-N

Smiles

C(=C\C(c1ccc(C#N)cc1)=O)(\C(F)(F)F)C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#08792,