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Substance Name: 1,3-Butanediol, 2-ethyl-1-(p-fluorophenyl)-3-trifluoromethyl-4,4,4-trifluoro-
RN: 34848-33-4
InChIKey: KUQJCEHGLUERBM-UHFFFAOYSA-N

Molecular Formula

  • C13-H13-F7-O2

Molecular Weight

  • 334.23
 
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Names and Synonyms

Synonyms

  • 2-Ethyl-1-(4-fluorophenyl)-4,4,4-trifluoro-3-trifluoromethyl-1,3-butanediol
  • BRN 2004975
  • NSC 162254

Systematic Name

  • 1,3-Butanediol, 2-ethyl-1-(p-fluorophenyl)-3-trifluoromethyl-4,4,4-trifluoro-

Registry Numbers

CAS Registry Number

  • 34848-33-4

System Generated Number

  • 0034848334

Structure Descriptors

InChI

1S/C13H13F7O2/c1-2-9(10(21)7-3-5-8(14)6-4-7)11(22,12(15,16)17)13(18,19)20/h3-6,9-10,21-22H,2H2,1H3

InChIKey

KUQJCEHGLUERBM-UHFFFAOYSA-N

Smiles

C([C@@H]([C@@H](c1ccc(F)cc1)O)CC)(C(F)(F)F)(C(F)(F)F)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#09014,