2-Bromo-5-methylbenzonitrile
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2-Bromo-5-methylbenzonitrile
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CAS No:
42872-83-3
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Formula:
C8H6BrN
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Chemical Name:
2-Bromo-5-methylbenzonitrile
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Synonyms:
Benzonitrile, 2-bromo-5-methyl-;6-BROMO-M-TOLUNITRILE;2-BROMO-5-METHYLBENZONITRILE;Benzonitrile, 2-bromo-5-methyl- (9CI);m-Tolunitrile, 6-bromo- (4CI);5-methyl-2-Bromobenzonitrile;4-Bromo-3-cyanotoluene;4-Bromo-3-cyanotoluene, 6-Bromo-m-tolunitrile
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CAS No:
Characteristics
23.8
2.7
Off-white to pale yellow Crystalline Powder
1.5±0.1 g/cm3
61-65 °C
290 °C
129 °C
1.591
Safety Information
6.1
3439
3
22
Xn
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:196.04
XLogP3:2.7
Hydrogen Bond Acceptor Count:1
Exact Mass:194.96836
Monoisotopic Mass:194.96836
Topological Polar Surface Area:23.8
Heavy Atom Count:10
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
