β-Oxo-α-phenylbenzenepropanenitrile
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β-Oxo-α-phenylbenzenepropanenitrile
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CAS No:
5415-07-6
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Formula:
C15H11NO
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Chemical Name:
β-Oxo-α-phenylbenzenepropanenitrile
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Synonyms:
Benzenepropanenitrile,β-oxo-α-phenyl-;Acetonitrile,benzoylphenyl-;β-Oxo-α-phenylbenzenepropanenitrile;α-Benzoylphenylacetonitrile;α-Cyanodeoxybenzoin;Benzoylphenylacetonitrile;α-Benzoylbenzyl cyanide;α-Cyanobenzyl phenyl ketone;2-Cyano-2-phenylacetophenone;2,3-Diphenyl-3-oxopropionitrile;NSC 11189;NSC 122780;3-Oxo-2,3-diphenylpropanenitrile
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CAS No:
Characteristics
40.9
3.17668
1.15g/cm3
95-96 °C
381.1ºC at 760 mmHg
184.3ºC
1.594
LDLo ipr-mus: 125 mg/kg CBCCT* 6,51,54
Safety Information
P264, P270, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P405, P501
H301
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:221.25
XLogP3:2.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:221.084063974
Monoisotopic Mass:221.084063974
Topological Polar Surface Area:40.9
Heavy Atom Count:17
Complexity:302
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
β-Oxo-α-phenylbenzenepropanenitrile
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