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263397

Sigma-Aldrich

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
Beilstein:
656506
EC Number:
250-971-1
MDL number:
MFCD00009905
UNSPSC Code:
12352100
PubChem Substance ID:
24855968
NACRES:
NA.22

Assay

97%

form

liquid

refractive index

n20/D 1.445 (lit.)

density

1.675 g/mL at 25 °C (lit.)

SMILES string

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

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

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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

Signal Word

Danger

Hazard Statements

H226,H314

Hazard Classifications

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

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

78.8 °F - closed cup

Flash Point(C)

26 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

263397-250MG:
263397-BULK:
263397-VAR:
263397-5G:
263397-1G:

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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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