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Substance Name: 2,4-Pentanediol, 1,1,1-trifluoro-2-(trifluoromethyl)-
RN: 34844-48-9
InChIKey: QAJCOMPEAMJMEB-UHFFFAOYSA-N

Molecular Formula

  • C6-H8-F6-O2

Molecular Weight

  • 226.115
 
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Names and Synonyms

Synonyms

  • 1,1,1-Trifluoro-2-trifluoromethyl-2,4-pentanediol
  • BRN 2244860

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 34844-48-9

System Generated Number

  • 0034844489

Structure Descriptors

InChI

1S/C6H8F6O2/c1-3(13)2-4(14,5(7,8)9)6(10,11)12/h3,13-14H,2H2,1H3

InChIKey

QAJCOMPEAMJMEB-UHFFFAOYSA-N

Smiles

C(C(F)(F)F)(C(F)(F)F)(C[C@@H](O)C)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#08179,