80531-13-1

Name 1-benzyl-1H-indole-5-carbonitrile
CAS 80531-13-1
Molecular Formula C16H12N2
MDL Number MFCD15200964
Molecular Weight 232.28
MOL File 80531-13-1.mol
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Chemical Properties

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 Data

Hazard Codes  Xn
Risk Statements 
WGK Germany  WGK 3
HazardClass  IRRITANT
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

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