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Sigma-Aldrich

2,2,2-Trifluoro-3′-(trifluoromethyl)acetophenone

98%

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About This Item

Linear Formula:
CF3C6H4COCF3
CAS Number:
721-37-9
Molecular Weight:
242.12
MDL number:
MFCD00061275
UNSPSC Code:
12352100
PubChem Substance ID:
24863082
NACRES:
NA.22

Quality Level

100

assay

98%

form

liquid

refractive index

n20/D 1.415 (lit.)

bp

65-67 °C/24 mmHg (lit.)

density

1.418 g/mL at 25 °C (lit.)

SMILES string

FC(F)(F)C(=O)c1cccc(c1)C(F)(F)F

InChI

1S/C9H4F6O/c10-8(11,12)6-3-1-2-5(4-6)7(16)9(13,14)15/h1-4H

InChI key

MDCHHRZBYSSONX-UHFFFAOYSA-N

Related Categories

General description

Preparation of 2,2,2-trifluoro-3′-(trifluoromethyl)acetophenone (3-trifluoromethyltrifluoroacetophenone) by Grignard synthesis using m-trifluoromethylbromo-benzene and trifluoroacetic acid has been reported.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

138.2 °F - closed cup

flash_point_c

59 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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The reduction of aryl trifluoromethyl ketones by N-carbamoylmethyl-1, 4-dihydronicotinamide.
Stewart RK, et al.
Canadian Journal of Chemistry, 58(23), 2497-2503 (1980)

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