| CAS Number: 1735-53-1 4-bromo-3-(trifluoromethyl)benzonitrile |
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| General Information | ||||||
| Product Number: 1735531
CAS Registry Number:
1735-53-1
Name:
Benzonitrile, 4-bromo-3-(trifluoromethyl)-
m-Tolunitrile, 4-bromo-α,α,α-trifluoro- (7CI,8CI); 4-Bromo-3-(trifluoromethyl)benzonitrile
Chemical Formula: C8H3BrF3N
Exact Mass: 248.94
Molecular Weight: 250.02
m/z: 248.94 (100.0%), 250.94 (97.3%), 249.94 (9.0%), 251.94 (8.8%)
Elemental Analysis: C, 38.43; H, 1.21; Br, 31.96; F, 22.80; N, 5.60
InChI: InChI=1S/C8H3BrF3N/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-3H
InChIKey: KSXUIQQDHHFSRN-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C(C=C1C#N)C(F)(F)F)Br
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Specification |
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98% |
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| References | ||||||
PCT Int. Appl. (2013), WO 2013114250 A1 20130808. PCT Int. Appl. (2012), WO 2012088411 A1 20120628. |
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