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:
Molecular Weight:
307.03
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
250-971-1
Beilstein/REAXYS Number:
656506
MDL number:
Assay:
97%
Form:
liquid
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
Quality Level
density
1.675 g/mL at 25 °C (lit.)
functional group
bromo, fluoro
Related Categories
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
signalword
Danger
hcodes
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
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Stereoselective synthesis of L-733,060.
Bhaskar G and Venkateswara Rao B.
Tetrahedron Letters, 44(5), 915-917 (2003)
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
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