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Substance Name: 4-Heptanone, 2,6-bis(trifluoromethyl)-2,6-dihydroxy-1,1,1,7,7,7-hexafluoro-, bis(triethylamine)salt
RN: 101913-86-4
InChIKey: NQLSKSUBOBVYGL-UHFFFAOYSA-P

Molecular Formula

  • C9-H6-F12-O3.2C6-H15-N

Molecular Weight

  • 592.502
 
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Names and Synonyms

  • 4-Heptanone, 2,6-bis(trifluoromethyl)-2,6-dihydroxy-1,1,1,7,7,7-hexafluoro-, bis(triethylamine)salt

Registry Numbers

CAS Registry Number

  • 101913-86-4

System Generated Number

  • 0101913864

Molecular Formulas

Molecular Formula

  • C9-H6-F12-O3.2C6-H15-N

Molecular Formula Fragments

  • C6-H15-N
  • C9-H6-F12-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C9H4F12O3.2C6H15N/c10-6(11,12)4(23,7(13,14)15)1-3(22)2-5(24,8(16,17)18)9(19,20)21;2*1-4-7(5-2)6-3/h1-2H2;2*4-6H2,1-3H3/q-2;;/p+2

InChIKey

NQLSKSUBOBVYGL-UHFFFAOYSA-P

Smiles

C(CC(CC(C(F)(F)F)(C(F)(F)F)[O-])=O)(C(F)(F)F)(C(F)(F)F)[O-].[NH+](CC)(CC)CC.[NH+](CC)(CC)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 5600ug/kg (5.6mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#08347,