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Substance Name: 4-Heptanone, 2,6-bis(trifluoromethyl)-2,6-dihydroxy-1,1,1,7,7,7-hexafluoro-3-phenyl-
RN: 101913-89-7
InChIKey: ZLNCPJIQFZRCCT-UHFFFAOYSA-N

Molecular Formula

  • C15-H10-F12-O3

Molecular Weight

  • 466.217
 
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Names and Synonyms

Synonym

  • 1,1,1,7,7,7-Hexafluoro-2,6-dihydroxy-3-phenyl-2,6-bis(trifluoromethyl)-4-heptanone

Systematic Name

  • 4-Heptanone, 2,6-bis(trifluoromethyl)-2,6-dihydroxy-1,1,1,7,7,7-hexafluoro-3-phenyl-

Registry Numbers

CAS Registry Number

  • 101913-89-7

System Generated Number

  • 0101913897

Structure Descriptors

InChI

1S/C15H10F12O3/c16-12(17,18)10(29,13(19,20)21)6-8(28)9(7-4-2-1-3-5-7)11(30,14(22,23)24)15(25,26)27/h1-5,9,29-30H,6H2

InChIKey

ZLNCPJIQFZRCCT-UHFFFAOYSA-N

Smiles

C([C@@H](c1ccccc1)C(CC(C(F)(F)F)(C(F)(F)F)O)=O)(C(F)(F)F)(C(F)(F)F)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#09230,