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254967

Sigma-Aldrich

2-(Trifluoromethyl)benzyl bromide

96%

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Synonym(s):
α′-Bromo-α,α,α-trifluoro-o-xylene
Linear Formula:
CF3C6H4CH2Br
CAS Number:
Molecular Weight:
239.03
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

96%

refractive index

n20/D 1.494 (lit.)

bp

72 °C/7.5 mmHg (lit.)

density

1.571 g/mL at 25 °C (lit.)

SMILES string

FC(F)(F)c1ccccc1CBr

InChI

1S/C8H6BrF3/c9-5-6-3-1-2-4-7(6)8(10,11)12/h1-4H,5H2

InChI key

TXVVVEUSVBLDED-UHFFFAOYSA-N

Application

2-(Trifluoromethyl)benzyl bromide may be used in chemical synthesis.

Pictograms

Corrosion

Signal Word

Danger

Hazard Statements

Hazard Classifications

Skin Corr. 1B

WGK

WGK 3

Flash Point(F)

181.4 °F

Flash Point(C)

83 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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William L Scott et al.
Journal of combinatorial chemistry, 11(1), 14-33 (2008-12-25)
Distributed Drug Discovery (D(3)) proposes solving large drug discovery problems by breaking them into smaller units for processing at multiple sites. A key component of the synthetic and computational stages of D(3) is the global rehearsal of prospective reagents and
William L Scott et al.
Journal of combinatorial chemistry, 11(1), 34-43 (2008-12-25)
For the successful implementation of Distributed Drug Discovery (D(3)) (outlined in the accompanying Perspective), students, in the course of their educational laboratories, must be able to reproducibly make new, high quality, molecules with potential for biological activity. This article reports

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