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Substance Name: 4-Heptanone, 2,6-bis(trifluoromethyl)-2,6-dihydroxy-1,1,1,7,7,7-hexafluoro-, azine
RN: 101913-85-3
InChIKey: HDXYKTXHFBJCQB-UHFFFAOYSA-N

Molecular Formula

  • C18-H12-F24-N2-O4

Molecular Weight

  • 776.255
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 101913-85-3

System Generated Number

  • 0101913853

Structure Descriptors

InChI

1S/C18H12F24N2O4/c19-11(20,21)7(45,12(22,23)24)1-5(2-8(46,13(25,26)27)14(28,29)30)43-44-6(3-9(47,15(31,32)33)16(34,35)36)4-10(48,17(37,38)39)18(40,41)42/h45-48H,1-4H2

InChIKey

HDXYKTXHFBJCQB-UHFFFAOYSA-N

Smiles

C(C\C(CC(C(F)(F)F)(C(F)(F)F)O)=N/N=C(\CC(C(F)(F)F)(C(F)(F)F)O)CC(C(F)(F)F)(C(F)(F)F)O)(C(F)(F)F)(C(F)(F)F)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 75mg/kg (75mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#08034,