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Merck
CN

263397

3,5-Bis(trifluoromethyl)benzyl bromide

97%

Synonym(s):

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

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About This Item

Linear Formula:
(CF3)2C6H3CH2Br
CAS Number:
32247-96-4
Molecular Weight:
307.03
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24855968
EC Number:
250-971-1
Beilstein/REAXYS Number:
656506
MDL number:
MFCD00009905

Key Documents

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Product Name

3,5-Bis(trifluoromethyl)benzyl bromide, 97%

InChI key

ATLQGZVLWOURFU-UHFFFAOYSA-N

InChI

1S/C9H5BrF6/c10-4-5-1-6(8(11,12)13)3-7(2-5)9(14,15)16/h1-3H,4H2

SMILES string

FC(F)(F)c1cc(CBr)cc(c1)C(F)(F)F

assay

97%

form

liquid

refractive index

n20/D 1.445 (lit.)

density

1.675 g/mL at 25 °C (lit.)

functional group

bromo
fluoro

Quality Level

200

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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

pictograms

FlameCorrosion
GHS02,GHS05

signalword

Danger

hcodes

H226,H314

Hazard Classifications

Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1B

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

78.8 °F - closed cup

flash_point_c

26 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
BCCN7847
BCCJ8809
BCCK9726
BCCH5493
BCCF8936

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B C Blount et al.
Analytical biochemistry, 219(2), 195-200 (1994-06-01)
A sensitive method using gas chromatography and negative chemical ionization mass spectrometry for the detection of uracil in DNA is described. Uracil DNA glycosylase is used to specifically cleave uracil from DNA. Once removed, uracil is derivatized with 3,5-bis(trifluoromethyl)benzyl bromide
Stereoselective synthesis of L-733,060.
Bhaskar G and Venkateswara Rao B.
Tetrahedron Letters, 44(5), 915-917 (2003)

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