2-Methylphenylacetonitrile
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2-Methylphenylacetonitrile
structure -
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CAS No:
22364-68-7
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Formula:
C9H9N
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Chemical Name:
2-Methylphenylacetonitrile
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Synonyms:
Benzeneacetonitrile,2-methyl-;Acetonitrile,o-tolyl-;2-Methylbenzeneacetonitrile;o-Tolylacetonitrile;2-Methylbenzyl cyanide;o-Methylphenylacetonitrile;2-Methylphenylacetonitrile;o-Methylbenzyl cyanide;o-Methylbenzyl nitrile;NSC 75859;2-(o-Tolyl)acetonitrile;2-(2-Methylphenyl)acetonitrile
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CAS No:
Description
clear colorless to orange-reddish liquid
(2-methylphenyl)acetonitrile is a nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a 2-methylphenyl group. It derives from an acetonitrile.
2-Methylphenylacetonitrile Basic Attributes
131.17
131.17
907182
244-937-5
P36Y8LY38Y
75859
DTXSID80176898
2926909090
Characteristics
23.8
2.06108
pale yellow liquid
1.0±0.1 g/cm3
142-143 °C
244 °C
>110°C
1.527
Slightly soluble in water. soluble in benzene, ethyl ether, ethanol.
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
4.52E-10mmHg at 25°C
Safety Information
III
6.1
3439
20/21/22-36/37/38
36/37-37/39-27-26
AM2290000
Xn
Stable under normal temperatures and pressures.
|Warning|H302 (95.56%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Methylphenylacetonitrile Use and Manufacturing
It is prepared by reacting with benzene acetonitrile and dimethyl sulfate under alkaline conditions.
Intermediates of flurbiprofen and pyrrofen
Computed Properties
Molecular Weight:131.17
XLogP3:2.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:131.073499291
Monoisotopic Mass:131.073499291
Topological Polar Surface Area:23.8
Heavy Atom Count:10
Complexity:142
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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