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Safety Information

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[1]
  • N-{2-[1-methyl-2-(3-trifluoromethylphenyl]}-aminoethanol[2]

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

193798-50G:
193798-10G:
193798-1G:
193798-BULK:
193798-VAR:

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Certificates of Analysis (COA)

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

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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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