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374059 Sigma-Aldrich

3-Bromo-1,1,1-trifluoroacetone

98%

  • CAS Number 431-35-6

  • Linear Formula CF3COCH2Br

  • Molecular Weight 190.95

  •  Beilstein/REAXYS Number 1703387

  •  EC Number 207-071-9

  •  MDL number MFCD00039237

  •  PubChem Substance ID 24863276

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Properties

Related Categories Building Blocks, C3 to C6, Carbonyl Compounds, Chemical Synthesis, Ketones,
InChI Key   ONZQYZKCUHFORE-UHFFFAOYSA-N
assay   98%
refractive index   n20/D 1.376 (lit.)
bp   87 °C/743 mmHg(lit.)
density   1.839 g/mL at 25 °C (lit.)

Description

General description

3-Bromo-1,1,1-trifluoroacetone reacts with potassium enolate of ethyl 4,4,4-trifluoroacetoacetate to yield ethyl 2,4-bis(trifluoromethyl)-4-hydroxydihydro-3-furoate.

Application

3-Bromo-1,1,1-trifluoroacetone may be used in the synthesis of:
• 3-nonylthio-1,1,1-trifluoropropan-2-one
• cyclic tetrapeptides containing trifluoromethyl and pentafluoroethyl ketone as zinc binding functional group
• perfluoroalkylated trans-allylic alcohols

Packaging

5 g in ampule

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Hazard statements 
Precautionary statements 
RIDADR 
UN 2924 8(3) / PGII
WGK Germany 
3
Flash Point(F) 
41 °F
Flash Point(C) 
5 °C

Documents

Certificate of Analysis

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Certificate of Origin

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Protocols & Articles
Peer-Reviewed Papers
15

References

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