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Key Documents

759287

Sigma-Aldrich

4-(Trifluoromethyl)cyclohexanone

97%

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About This Item

Empirical Formula (Hill Notation):
C7H9F3O
CAS Number:
Molecular Weight:
166.14
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

97%

form

liquid

refractive index

n20/D 1.400

density

1.221 at 25 °C

functional group

fluoro
ketone

SMILES string

FC(F)(F)C1CCC(=O)CC1

InChI

1S/C7H9F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h5H,1-4H2

InChI key

IPQDZFUZVJKAKZ-UHFFFAOYSA-N

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pictograms

Environment

signalword

Warning

hcodes

pcodes

Hazard Classifications

Aquatic Acute 1

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

170.1 °F

flash_point_c

76.7 °C


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Qinglei Meng et al.
Nature communications, 8, 14190-14190 (2017-02-01)
Cyclohexanone and its derivatives are very important chemicals, which are currently produced mainly by oxidation of cyclohexane or alkylcyclohexane, hydrogenation of phenols, and alkylation of cyclohexanone. Here we report that bromide salt-modified Pd/C in H

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