α-Methyl-4-nitrobenzeneacetonitrile
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α-Methyl-4-nitrobenzeneacetonitrile
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CAS No:
50712-63-5
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Formula:
C9H8N2O2
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Chemical Name:
α-Methyl-4-nitrobenzeneacetonitrile
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Synonyms:
Benzeneacetonitrile,α-methyl-4-nitro-;α-Methyl-4-nitrobenzeneacetonitrile;2-(4-Nitrophenyl)propionitrile;2-(4-Nitrophenyl)propiononitrile;2-(4-Nitrophenyl)propanenitrile
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CAS No:
Characteristics
69.61000
2.74508
1.217g/cm3
73-75 °C @ Solvent: Benzene, Ligroine
324.1ºC at 760 mmHg
149.8ºC
1.561
Safety Information
S22-S24/25
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|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:176.17
XLogP3:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:176.058577502
Monoisotopic Mass:176.058577502
Topological Polar Surface Area:69.6
Heavy Atom Count:13
Complexity:230
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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