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263397 Sigma-Aldrich

3,5-Bis(trifluoromethyl)benzyl bromide

97%

Synonym: 1-(Bromomethyl)-3,5-bis(trifluoromethyl)benzene

  • CAS Number 32247-96-4

  • Linear Formula (CF3)2C6H3CH2Br

  • Molecular Weight 307.03

  •  Beilstein/REAXYS Number 656506

  •  EC Number 250-971-1

  •  MDL number MFCD00009905

  •  PubChem Substance ID 24855968

  •  NACRES NA.22

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Properties

Related Categories Aryl, Building Blocks, C9 to C12, Chemical Synthesis, Halogenated Hydrocarbons,
Quality Level   200
assay   97%
refractive index   n20/D 1.445 (lit.)
density   1.675 g/mL at 25 °C (lit.)
SMILES string   FC(F)(F)c1cc(CBr)cc(c1)C(F)(F)F
InChI   1S/C9H5BrF6/c10-4-5-1-6(8(11,12)13)3-7(2-5)9(14,15)16/h1-3H,4H2
InChI key   ATLQGZVLWOURFU-UHFFFAOYSA-N

Description

Application

3,5-Bis(trifluoromethyl)benzyl bromide has been used:
• as derivatization reagent in detection of uracil in DNA by GC and negative chemical ionization mass spectrometry
• in enantioselective synthesis of non-peptidic neurokinin NK1 receptor antagonist, L-733,060

Packaging

1, 5 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Hazard statements 
Precautionary statements 
RIDADR 
UN 2920 3(8) / PGII
WGK Germany 
WGK 3
Flash Point(F) 
78.8 °F - closed cup
Flash Point(C) 
26 °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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