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Substance Name: 2,4-Pentanediol, 5-phenyl-1,1,1-trilfuoro-2-(trifluoromethyl)-
RN: 101931-58-2
InChIKey: YXJIPDGYMFBWAF-UHFFFAOYSA-N

Molecular Formula

  • C12-H12-F6-O2

Molecular Weight

  • 302.2128
 
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Names and Synonyms

Synonym

  • 1,1,1-Trifluoro-5-phenyl-2-(trifluoromethyl)-pentan-2,4-diol

Systematic Name

  • 2,4-Pentanediol, 5-phenyl-1,1,1-trilfuoro-2-(trifluoromethyl)-

Registry Numbers

CAS Registry Number

  • 101931-58-2

System Generated Number

  • 0101931582

Structure Descriptors

InChI

1S/C12H12F6O2/c13-11(14,15)10(20,12(16,17)18)7-9(19)6-8-4-2-1-3-5-8/h1-5,9,19-20H,6-7H2

InChIKey

YXJIPDGYMFBWAF-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CC(CC(C(F)(F)F)(C(F)(F)F)O)O

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#09367,