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T62804 Sigma-Aldrich

1,1,1-Trifluoroacetone

97%

  • CAS Number 421-50-1

  • Linear Formula CH3COCF3

  • Molecular Weight 112.05

  •  Beilstein/REAXYS Number 1748614

  •  EC Number 207-005-9

  •  MDL number MFCD00000423

  •  PubChem Substance ID 24900365

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C3 to C6, Carbonyl Compounds, Chemical Synthesis, Ketones,
Quality Level   100
vapor pressure   13.62 psi ( 20 °C)
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

Description

Packaging

5, 25, 100 g in glass bottle

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.

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Hazard statements 
Target organs 
Respiratory system
RIDADR 
UN 1993A 3 / PGI
WGK Germany 
WGK 3
Flash Point(F) 
-22.0 °F - closed cup
Flash Point(C) 
-30 °C - closed cup

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Meet Synthia - Retrosynthesis Sofware
Protocols & Articles
Peer-Reviewed Papers
15

References

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