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Substance Name: 4-Heptanone, 2,6-bis(trifluoromethyl)-3-(2-chloroethyl)-2,6-dihydroxy-1,1,1,7,7,7-hexafluoro-
RN: 101913-82-0
InChIKey: KCSCCVGBCPYEOH-UHFFFAOYSA-N

Molecular Formula

  • C11-H9-Cl-F12-O3

Molecular Weight

  • 452.618
 
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Names and Synonyms

Synonym

  • 2,6-Bis(trifluoromethyl)-3-(2-chloroethyl)-2,6-dihydroxy-1,1,1,7,7,7-hexafluoro-4-heptanone

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 101913-82-0

System Generated Number

  • 0101913820

Structure Descriptors

InChI

1S/C11H9ClF12O3/c12-2-1-4(7(27,10(19,20)21)11(22,23)24)5(25)3-6(26,8(13,14)15)9(16,17)18/h4,26-27H,1-3H2

InChIKey

KCSCCVGBCPYEOH-UHFFFAOYSA-N

Smiles

C([C@@H](C(CC(C(F)(F)F)(C(F)(F)F)O)=O)CCCl)(C(F)(F)F)(C(F)(F)F)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 5620ug/kg (5.62mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#09150,