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Substance Name: 1,3-Butanediol, 4,4,4-trifluoro-3-(trifluoromethyl)-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-
RN: 34848-23-2
InChIKey: HQERBWZZPCIKBQ-UHFFFAOYSA-N

Molecular Formula

  • C12-H9-F9-O2

Molecular Weight

  • 356.183
 
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Names and Synonyms

Synonyms

  • 1,3-Butanediol, 1-(3-trifluoromethylphenyl)-3-trifluoromethyl-4,4,4-trifluoro-
  • 4,4,4-Trifluoro-3-trifluoromethyl-1-(3-(alpha,alpha,alpha-trifluoro)tolyl)-1,3-butanediol
  • BRN 2015808
  • NSC 162265

Systematic Name

  • 1,3-Butanediol, 4,4,4-trifluoro-3-(trifluoromethyl)-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-

Registry Numbers

CAS Registry Number

  • 34848-23-2

System Generated Number

  • 0034848232

Structure Descriptors

InChI

1S/C12H9F9O2/c13-10(14,15)7-3-1-2-6(4-7)8(22)5-9(23,11(16,17)18)12(19,20)21/h1-4,8,22-23H,5H2

InChIKey

HQERBWZZPCIKBQ-UHFFFAOYSA-N

Smiles

C(C[C@@H](c1cc(ccc1)C(F)(F)F)O)(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#09031,