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193798

Sigma-Aldrich

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
EC Number:
244-652-6
MDL number:
MFCD00000397
UNSPSC Code:
12352100
PubChem Substance ID:
24851614
NACRES:
NA.22

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.)

SMILES string

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

InChI

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

InChI key

JPHQCDCEBDRIOL-UHFFFAOYSA-N

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

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

192.2 °F - closed cup

Flash Point(C)

89 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
S41905
U13990
13301DC
04611HR
04113ET

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Enzymatic one-pot resolution of two nucleophiles: alcohol and amine.
Garci'a-Urdiales E, et al.
Tetrahedron Asymmetry, 11(7), 1459-1463 (2000)
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)

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