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406406 Sigma-Aldrich

2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzyl bromide

98%

Synonym: 1-(Bromomethyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene, 4-(Trifluoromethyl)-2,3,5,6-tetrafluorobenzyl bromide

  • CAS Number 76437-40-6

  • Linear Formula CF3C6F4CH2Br

  • Molecular Weight 310.99

  •  Beilstein/REAXYS Number 8423469

  •  MDL number MFCD00191855

  •  PubChem Substance ID 24865372

  •  NACRES NA.22

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Properties

Related Categories Aryl, Building Blocks, C8, Chemical Synthesis, Fluorinated Building Blocks,
Quality Level   200
vapor pressure   0.38 psi ( 20 °C)
assay   98%
refractive index   n20/D 1.448 (lit.)
density   1.864 g/mL at 25 °C (lit.)
SMILES string   Fc1c(F)c(c(F)c(F)c1CBr)C(F)(F)F
InChI   1S/C8H2BrF7/c9-1-2-4(10)6(12)3(8(14,15)16)7(13)5(2)11/h1H2
InChI key   WKPYRDRWTNJBQI-UHFFFAOYSA-N

Description

General description

2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzyl bromide (4-(trifluoromethyl)-2,3,5,6-tetrafluorobenzyl bromide) has been reported to be prepared in one step from α,α,α−2,3,5,6-heptafluoro-p-xylene.

Application

2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzyl bromide (4-(trifluoromethyl)-2,3,5,6-tetrafluorobenzyl bromide, TTBB) may be employed as an alternate of pentafluorobenzyl bromide (PFBB) in electrophoric derivatization reactions prior to detection during gas chromatography-electron-capture negative ion mass spectrometry (GC-ECNI-MS). TTBB may be employed as derivatization reagent for the characterization and quantitation of DNA and hemoglobin adducts.

Packaging

1 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
GHS05  GHS05
Signal word 
Danger
Hazard statements 
Precautionary statements 
RIDADR 
UN 3265 8 / PGII
WGK Germany 
WGK 3
Flash Point(F) 
210.2 °F - closed cup
Flash Point(C) 
99 °C - closed cup

Documents

Certificate of Analysis (COA)

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

References

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