| CAS Number: 42872-74-2 3-Bromo-4-methylbenzonitrile |
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| General Information | ||||||
| Product Number: 42872742
CAS Number:
42872-74-2
Name:
Benzonitrile,3-bromo-4-methyl-
Synonyms:
p-Tolunitrile,3-bromo- (6CI);2-Bromo-4-cyanotoluene;3-Bromo-4-methylbenzonitrile;3-Bromo-p-tolunitrile;4-Methyl-3-bromobenzonitrile;
Chemical Formula: C8H6BrN
Exact Mass: 194.97
Molecular Weight: 196.04
m/z: 194.97 (100.0%), 196.97 (97.3%), 195.97 (9.1%), 197.97 (8.5%)
Elemental Analysis: C, 49.01; H, 3.08; Br, 40.76; N, 7.14
InChI: InChI=1S/C8H6BrN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,1H3
InChIKey: VXUMRYMTYKDWMO-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C=C(C=C1)C#N)Br
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Specification |
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98% |
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| References | ||||||
PCT Int. Appl. (2013), WO 2013063385 A1 20130502. PCT Int. Appl. (2013), WO 2013043961 A1 20130328. |
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