254967
2-(Trifluoromethyl)benzyl bromide
96%
Synonym(s):
α′-Bromo-α,α,α-trifluoro-o-xylene
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About This Item
Linear Formula:
CF3C6H4CH2Br
CAS Number:
Molecular Weight:
239.03
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
206-901-7
MDL number:
Assay:
96%
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.)
functional group
bromo, fluoro
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.
signalword
Danger
hcodes
Hazard Classifications
Skin Corr. 1B
Storage Class
8A - Combustible corrosive hazardous materials
wgk
WGK 3
flash_point_f
181.4 °F - closed cup
flash_point_c
83 °C - closed cup
ppe
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
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
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 254967-1G | 04061837072062 |
| 254967-5G | 04061837072079 |