2-Hydroxy-2-(4-methoxyphenyl)acetonitrile
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2-Hydroxy-2-(4-methoxyphenyl)acetonitrile
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CAS No:
33646-40-1
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Formula:
C9H9NO2
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Chemical Name:
2-Hydroxy-2-(4-methoxyphenyl)acetonitrile
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Synonyms:
Benzeneacetonitrile,α-hydroxy-4-methoxy-;Mandelonitrile,p-methoxy-;α-Hydroxy-4-methoxybenzeneacetonitrile;(p-Methoxyphenyl)glycolonitrile;p-Methoxybenzaldehyde cyanohydrin;4-Methoxymandelonitrile;p-Methoxymandelonitrile;(±)-4-Methoxymandelonitrile;4-Methoxybenzaldehyde cyanohydrin;2-Hydroxy-2-(4-methoxyphenyl)acetonitrile;(±)-α-Cyano-4-methoxybenzyl alcohol;NSC 32393;p-Anisaldehyde cyanohydrin;133269-64-4
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CAS No:
Characteristics
53.2 Ų
1.25218
1.183±0.06 g/cm3
57-58 °C @ Solvent: Diethyl ether, Ligroine
334.4±32.0 °C(Predicted)
156.1ºC
1.55
10.57±0.20
Safety Information
|Warning|H302 (100%): 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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:163.17
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:163.063328530
Monoisotopic Mass:163.063328530
Topological Polar Surface Area:53.2
Heavy Atom Count:12
Complexity:176
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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