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Substance Name: 2-Cyclohexen-1-one, 2-bromo-6-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-3,5,5-trimethyl-
RN: 101564-48-1
InChIKey: DPQCPKKVUDMATE-UHFFFAOYSA-N

Molecular Formula

  • C12-H13-Br-F6-O2

Molecular Weight

  • 383.1247
 
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Names and Synonyms

Synonym

  • 2-Bromo-6-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-3,5,5-trimethyl-2-cyclohexene-1-one

Systematic Name

  • 2-Cyclohexen-1-one, 2-bromo-6-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-3,5,5-trimethyl-

Registry Numbers

CAS Registry Number

  • 101564-48-1

System Generated Number

  • 0101564481

Structure Descriptors

InChI

1S/C12H13BrF6O2/c1-5-4-9(2,3)8(7(20)6(5)13)10(21,11(14,15)16)12(17,18)19/h8,21H,4H2,1-3H3

InChIKey

DPQCPKKVUDMATE-UHFFFAOYSA-N

Smiles

CC1=C(C(=O)C(C(C1)(C)C)C(C(F)(F)F)(C(F)(F)F)O)Br

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#08340,