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:
Molecular Weight:
112.05
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
207-005-9
Beilstein/REAXYS Number:
1748614
MDL number:
Assay:
97%
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.
signalword
Danger
hcodes
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
Eyeshields, Faceshields, Gloves
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