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Merck
CN

193798

3-(Trifluoromethyl)phenylacetone

97%

Synonym(s):

1-(α,α,α-Trifluoro-m-tolyl)-2-propanone

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About This Item

Linear Formula:
CF3C6H4CH2COCH3
CAS Number:
21906-39-8
Molecular Weight:
202.17
NACRES:
NA.22
PubChem Substance ID:
24851614
UNSPSC Code:
12352100
EC Number:
244-652-6
MDL number:
MFCD00000397

Key Documents

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Product Name

3-(Trifluoromethyl)phenylacetone, 97%

InChI key

JPHQCDCEBDRIOL-UHFFFAOYSA-N

InChI

1S/C10H9F3O/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6H,5H2,1H3

SMILES string

CC(=O)Cc1cccc(c1)C(F)(F)F

assay

97%

refractive index

n20/D 1.457 (lit.)

bp

89-90 °C/0.5 mmHg (lit.)

density

1.204 g/mL at 25 °C (lit.)

Application

3-(Trifluoromethyl)phenylacetone was used in the synthesis of:
  • (±)-[1-(3-trifluoromethyl)phenyl]-2-propylamine via reductive amination reaction
  • N-{2-[1-methyl-2-(3-trifluoromethylphenyl]}-aminoethanol

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

192.2 °F - closed cup

flash_point_c

89 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
S41905
U13990
05524JT
01519LQ
13301DC

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New prenylamine-analogues: investigations of their influence on calcium-dependent biological systems.
Caldirola P, et al.
European Journal of Medicinal Chemistry, 28(7), 555-568 (1993)
Enzymatic one-pot resolution of two nucleophiles: alcohol and amine.
Garci'a-Urdiales E, et al.
Tetrahedron Asymmetry, 11(7), 1459-1463 (2000)

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