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Substance Name: 4-Heptanone, 2,6-bis(trifluoromethyl)-3-chloro-2,6-dihydroxy-1,1,1,7,7,7,-hexafluoro-
RN: 101913-81-9
InChIKey: UXDVTDJRVGUOAJ-UHFFFAOYSA-N

Molecular Formula

  • C9-H5-Cl-F12-O3

Molecular Weight

  • 424.565
 
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Names and Synonyms

Synonym

  • 3-Chloro-1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)-4-heptanone

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 101913-81-9

System Generated Number

  • 0101913819

Structure Descriptors

InChI

1S/C9H5ClF12O3/c10-3(5(25,8(17,18)19)9(20,21)22)2(23)1-4(24,6(11,12)13)7(14,15)16/h3,24-25H,1H2

InChIKey

UXDVTDJRVGUOAJ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#09256,