306088
2-Bromo-5-chlorobenzotrifluoride
97%
Synonym(s):
2-Bromo-5-chloro-α,α,α-trifluorotoluene
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About This Item
Linear Formula:
BrC6H3(Cl)CF3
CAS Number:
Molecular Weight:
259.45
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
97%
Form:
liquid
InChI
1S/C7H3BrClF3/c8-6-2-1-4(9)3-5(6)7(10,11)12/h1-3H
SMILES string
FC(F)(F)c1cc(Cl)ccc1Br
InChI key
OSTIALFVJOFNPP-UHFFFAOYSA-N
assay
97%
form
liquid
refractive index
n20/D 1.5080 (lit.)
bp
179-180 °C (lit.)
density
1.759 g/mL at 25 °C (lit.)
Application
2-Bromo-5-chlorobenzotrifluoride was used in preparation of 6-[4-chloro-2-(trifluoromethyl)phenyl]-3-fluoro-2-methylpyridine and 4,4′-dichloro-2,2′-bis(trifluoromethyl) diphenyl sulphone.
wgk
WGK 3
Storage Class
10 - Combustible liquids
flash_point_f
210.0 °F - closed cup
flash_point_c
98.9 °C - closed cup
ppe
Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Regulatory Information
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S Sreenivasa et al.
Acta crystallographica. Section E, Structure reports online, 68(Pt 12), o3370-o3370 (2013-03-12)
In the title compound, C13H8ClF4N, the dihedral angle between the benzene and pyridine rings is 59.8 (3)°. In the crystal, mol-ecules are stacked in columns along the b axis through weak C-H⋯π inter-actions.
The preparation of a semicrystalline trifluoromethylated poly (aryl ether sulphone).
Clark JH, et al.
Journal of Polymer Science Part A: Polymer Chemistry, 32(6), 1185-1187 (1994)
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