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Substance Name: 2,4-Pentanediol, 5-phenoxy-1,1,1-trifluoro-2-(trifluoromethyl)-
RN: 34848-38-9
InChIKey: LLBYRSMBEDHPIS-UHFFFAOYSA-N

Molecular Formula

  • C12-H12-F6-O3

Molecular Weight

  • 318.212
 
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Names and Synonyms

Synonyms

  • 5-Phenoxy-1,1,1-trifluoro-2-trifluoromethyl-2,4-pentanediol
  • BRN 1997442
  • NSC 162233

Systematic Name

  • 2,4-Pentanediol, 5-phenoxy-1,1,1-trifluoro-2-(trifluoromethyl)-

Registry Numbers

CAS Registry Number

  • 34848-38-9

System Generated Number

  • 0034848389

Structure Descriptors

InChI

1S/C12H12F6O3/c13-11(14,15)10(20,12(16,17)18)6-8(19)7-21-9-4-2-1-3-5-9/h1-5,8,19-20H,6-7H2

InChIKey

LLBYRSMBEDHPIS-UHFFFAOYSA-N

Smiles

C(C(F)(F)F)(C(F)(F)F)(C[C@@H](COc1ccccc1)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 42mg/kg (42mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#08986,