3,5-Dimethylbenzonitrile
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3,5-Dimethylbenzonitrile
structure -
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CAS No:
22445-42-7
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Formula:
C9H9N
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Chemical Name:
3,5-Dimethylbenzonitrile
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Synonyms:
Benzonitrile,3,5-dimethyl-;3,5-Dimethylbenzonitrile;1,3-Dimethyl-5-cyanobenzene
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CAS No:
Characteristics
23.79000
2.17508
0.99 g/cm3
42-43 °C @ Solvent: Ethanol
243.1ºC at 760 mmHg
100.8ºC
1.525
0.0327mmHg at 25°C
Safety Information
UN 3276
R20/21/22
26-36/37/39
Xi
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
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:143
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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