3,5-Bis(trifluoromethyl)benzyl bromide

Name: 3,5-Bis(trifluoromethyl)benzyl bromide
Brand: ALDRICH

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

Assay:

97%

Form:

liquid

Key Documents

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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%

Quality Level

200

refractive index

n20/D 1.445 (lit.)

density

1.675 g/mL at 25 °C (lit.)

functional group

bromo, fluoro

Related Categories

Organic Building Blocks

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1 of 4

This Item	290149	692050	571474
Sigma-Aldrich 263397 3,5-Bis(trifluoromethyl)benzyl bromide	Sigma-Aldrich 290149 2,4-Bis(trifluoromethyl)benzyl bromide	Sigma-Aldrich 692050 4-(Trifluoromethyl)phenethyl bromide	Sigma-Aldrich 571474 3,5-Di-tert-butylbenzyl bromide
assay 97%	assay 95%	assay 97%	assay 97%
Quality Level 200	Quality Level 100	Quality Level 100	Quality Level 100
refractive index n20/D 1.445 (lit.)	refractive index n20/D 1.451 (lit.)	refractive index n20/D 1.487	refractive index -
density 1.675 g/mL at 25 °C (lit.)	density 1.637 g/mL at 25 °C (lit.)	density 1.499 g/mL at 25 °C	density -
form liquid	form -	form liquid	form solid
functional group bromo	functional group bromo, fluoro	functional group bromo, fluoro	functional group bromo

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[1]
in enantioselective synthesis of non-peptidic neurokinin NK1 receptor antagonist, L-733,060[2]

pictograms

GHS02,GHS05

signalword

Danger

hcodes

H226,H314

pcodes

P210 - P233 - P240 - P280 - P303 + P361 + P353 - P305 + P351 + P338

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)

Analysis of uracil in DNA by gas chromatography-mass spectrometry.

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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