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T62804

1,1,1-Trifluoroacetone

97%

Synonym(s):

α,α,α-Trifluoroacetone, 1,1,1-Trifluoro-2-propanone, 3,3,3-Trifluoroacetone, Methyl trifluoromethyl ketone, Trifluoromethyl methyl ketone

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About This Item

Linear Formula:
CH3COCF3
CAS Number:
421-50-1
Molecular Weight:
112.05
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24900365
EC Number:
207-005-9
Beilstein/REAXYS Number:
1748614
MDL number:
MFCD00000423
Assay:
97%
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vapor pressure

13.62 psi ( 20 °C)

Quality Segment

assay

97%

refractive index

n20/D 1.3 (lit.)

bp

22 °C (lit.)

density

1.252 g/mL at 25 °C (lit.)

functional group

fluoro, ketone

storage temp.

2-8°C

SMILES string

CC(=O)C(F)(F)F

InChI

1S/C3H3F3O/c1-2(7)3(4,5)6/h1H3

InChI key

FHUDAMLDXFJHJE-UHFFFAOYSA-N

Application

Used in a synthesis of 2-trifluoromethyl-7-azaindoles starting with 2,6-dihalopyridines. The derived chiral imine was used to prepare enantiopure α-trifluoromethyl alanines and diamines via a Strecker reaction followed by either nitrile hydrolysis or reduction.

Pictograms

FlameCorrosion
GHS02,GHS05

Signal Word

Danger

Hazard Codes

H224,H314,H412

Hazard Classifications

Aquatic Chronic 3 - Eye Dam. 1 - Flam. Liq. 1 - Skin Corr. 1B

Storage Class

3 - Flammable liquids

WGK

WGK 2

Flash Point (°F)

-22.0 °F - closed cup

Flash Point (°C)

-30 °C - closed cup

PPE (personal protective equipment)

Eyeshields, Faceshields, Gloves

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