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3,5-Bis(trifluoromethyl)benzyl bromide

ALDRICH/263397 - 97%

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

CAS Number: 32247-96-4
Empirical Formula (Hill Notation): C9H5BrF6
Molecular Weight: 307.03
EC Number: 250-971-1
MDL Number: MFCD00009905
Linear Formula: (CF3)2C6H3CH2Br
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-263397-1G 1 g
 $0.00
1/EA
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45-263397-5G 5 g
 $64.90
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assay 97%
density 1.675 g/mL at 25 °C (lit.)
form liquid
functional group bromo
  fluoro
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
Quality Level 200 
refractive index n20/D 1.445 (lit.)
SMILES string FC(F)(F)c1cc(CBr)cc(c1)C(F)(F)F
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
Purity 97%
Density 1.675 g/mL at 25 °C (lit.)
Refractive Index n20/D 1.445 (lit.)
UNSPSC 12352100

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