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About This Item
Linear Formula:
CH3COCF3
CAS Number:
Molecular Weight:
112.05
Beilstein:
1748614
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
vapor pressure
13.62 psi ( 20 °C)
Quality Level
Assay
97%
refractive index
n20/D 1.3 (lit.)
bp
22 °C (lit.)
density
1.252 g/mL at 25 °C (lit.)
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
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Related Categories
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.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Aquatic Chronic 3 - Eye Dam. 1 - Flam. Liq. 1 - Skin Corr. 1B
Storage Class Code
3 - Flammable liquids
WGK
WGK 2
Flash Point(F)
-22.0 °F - closed cup
Flash Point(C)
-30 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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