127667-03-2

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127667-03-2 Structure

Identification	Back 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 Properties	Back 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 Data	Back Directory
[WGK Germany ] WGK 3
[HazardClass ] IRRITANT
[Storage Class] 11 - Combustible Solids
[Hazard Classifications] Acute Tox. 4 Oral Eye Irrit. 2

Hazard Information	Back Directory
[Synthesis Reference(s)] The Journal of Organic Chemistry, 55, p. 4817, 1990 DOI: 10.1021/jo00303a011

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