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Substance Name: 2,4-Heptanediol, 7-chloro-1,1,1-trifluoro-2-(trifluoromethyl)-
RN: 101913-68-2
InChIKey: PJCDWTGBDBTSLG-UHFFFAOYSA-N

Molecular Formula

  • C8-H11-Cl-F6-O2

Molecular Weight

  • 288.614
 
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Names and Synonyms

Synonym

  • 7-Chloro-1,1,1-trifluoro-2-trifluoromethylheptan-2,4-diol

Systematic Name

  • 2,4-Heptanediol, 7-chloro-1,1,1-trifluoro-2-(trifluoromethyl)-

Registry Numbers

CAS Registry Number

  • 101913-68-2

System Generated Number

  • 0101913682

Structure Descriptors

InChI

1S/C8H11ClF6O2/c9-3-1-2-5(16)4-6(17,7(10,11)12)8(13,14)15/h5,16-17H,1-4H2

InChIKey

PJCDWTGBDBTSLG-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 24mg/kg (24mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#09116,