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Sigma-Aldrich

4-(Trifluoromethyl)cyclohexanone

97%

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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

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

Signal Word

Warning

Hazard Statements

Precautionary Statements

Hazard Classifications

Aquatic Acute 1

WGK

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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