α,4-Dihydroxybenzeneacetonitrile
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α,4-Dihydroxybenzeneacetonitrile
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CAS No:
13093-65-7
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Formula:
C8H7NO2
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Chemical Name:
α,4-Dihydroxybenzeneacetonitrile
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Synonyms:
Benzeneacetonitrile,α,4-dihydroxy-;Mandelonitrile,p-hydroxy-;α,4-Dihydroxybenzeneacetonitrile;(p-Hydroxyphenyl)glycolonitrile;p-Hydroxymandelonitrile;4-Hydroxymandelonitrile;(R,S)-p-Hydroxymandelonitrile;(±)-α,4-Dihydroxybenzeneacetonitrile;(±)-4-Hydroxymandelonitrile;Alpha-hydroxy 4-hydroxyphenylacetonitrile;2-Hydroxy-2-(4-hydroxyphenyl)acetonitrile;6851-36-1
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CAS No:
Description
4-hydroxymandelonitrile is a cyanohydrin that is obtained by the formal addition of hydrogen cyanide to the aldehyde group of 4-hydroxybenzaldehyde. It derives from a mandelonitrile.
Characteristics
64.25000
0.94918
1.327g/cm3
99-102 °C
366ºC at 760mmHg
175.1ºC
1.613
5.32E-06mmHg at 25°C
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, 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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:149.15
XLogP3:0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:149.047678466
Monoisotopic Mass:149.047678466
Topological Polar Surface Area:64.2
Heavy Atom Count:11
Complexity:164
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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