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80531-13-1

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80531-13-1 Structure

80531-13-1 Structure
IdentificationBack Directory
[Name]

1-benzyl-1H-indole-5-carbonitrile
[CAS]

80531-13-1
[Synonyms]

1-(benzyl)indole-5-carbonitrile
1-benzyl-1H-indole-5-carbonitrile
1-(phenylmethyl)-5-indolecarbonitrile
1-(phenylmethyl)indole-5-carbonitrile
1-(Phenylmethyl)-1H-indole-5-carbonitrile
1H-Indole-5-carbonitrile, 1-(phenylmethyl)-
1-benzyl-1H-indole-5-carbonitrile(SALTDATA: FREE)
[Molecular Formula]

C16H12N2
[MDL Number]

MFCD15200964
[MOL File]

80531-13-1.mol
[Molecular Weight]

232.28
Chemical PropertiesBack Directory
[Boiling point ]

447.1±28.0 °C(Predicted)
[density ]

1.09±0.1 g/cm3(Predicted)
[form ]

solid
[InChI]

1S/C16H12N2/c17-11-14-6-7-16-15(10-14)8-9-18(16)12-13-4-2-1-3-5-13/h1-10H,12H2
[InChIKey]

XZCSETGZSGBGCI-UHFFFAOYSA-N
[SMILES]

N#CC1=CC=C(N(CC2=CC=CC=C2)C=C3)C3=C1
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22
[WGK Germany ]

WGK 3
[HazardClass ]

IRRITANT
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
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