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127667-03-2

127667-03-2 Structure

127667-03-2 Structure
IdentificationBack Directory
[Name]

2-[CYANO(PHENYL)METHYL]BENZENECARBONITRILE
[CAS]

127667-03-2
[Synonyms]

2-[CYANO(PHENYL)METHYL]BENZONITRILE
2-[(R)-Cyano-Phenylmethyl]Benzonitrile
Benzeneacetonitrile, 2-cyano-α-phenyl-
2-[(S)-cyano(phenyl)methyl]benzonitrile
2-[CYANO(PHENYL)METHYL]BENZENECARBONITRILE
[Molecular Formula]

C15H10N2
[MDL Number]

MFCD00231972
[MOL File]

127667-03-2.mol
[Molecular Weight]

218.25
Chemical PropertiesBack Directory
[Melting point ]

85-87°C
[Boiling point ]

394.9±30.0 °C(Predicted)
[density ]

1.16±0.1 g/cm3(Predicted)
[form ]

solid
[InChI]

1S/C15H10N2/c16-10-13-8-4-5-9-14(13)15(11-17)12-6-2-1-3-7-12/h1-9,15H
[InChIKey]

FVQZELZNBUVEQG-UHFFFAOYSA-N
[SMILES]

N#CC(C1=CC=CC=C1)C(C=CC=C2)=C2C#N
Safety DataBack Directory
[WGK Germany ]

WGK 3
[HazardClass ]

IRRITANT
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Hazard InformationBack Directory
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 55, p. 4817, 1990 DOI: 10.1021/jo00303a011
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