2,3-Dimethylbenzonitrile
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2,3-Dimethylbenzonitrile
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CAS No:
5724-56-1
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Formula:
C9H9N
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Chemical Name:
2,3-Dimethylbenzonitrile
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Synonyms:
Benzonitrile,2,3-dimethyl-;2,3-Dimethylbenzonitrile
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CAS No:
2,3-Dimethylbenzonitrile Basic Attributes
131.178
131.17
227-229-0
6S215F38OK
DTXSID80205854
2926909090
Safety Information
3276
R20/21/22
S23-S36/37/39
DI4357600
Xi
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362
H315
|Warning|H315 (17.39%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2,3-Dimethylbenzonitrile Use and Manufacturing
General procedure: n-Butyllithium (1.67 M solution in hexane, 3.3 mL, 5.5 mmol) was added dropwise to a solution of p-bromotoluene (855 mg, 5.0 mmol) in THF (5 mL) at -70 °C. After 30 min, the resulting mixture was warmed and stirred for 5 min at 0 °C. Then, DMF (0.43 mL, 5.5 mmol) was added and the obtained mixture was stirred at 0 °C. After 1 h at the same temperature, aq NH
Computed Properties
Molecular Weight:131.17
XLogP3:2.4
Hydrogen Bond Acceptor Count:1
Exact Mass:131.073499291
Monoisotopic Mass:131.073499291
Topological Polar Surface Area:23.8
Heavy Atom Count:10
Complexity:153
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
