51776-12-6

Name 4-(mercaptomethyl)benzonitrile
CAS 51776-12-6
Molecular Formula C8H7NS
MDL Number MFCD19257991
Molecular Weight 149.21
MOL File 51776-12-6.mol
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Chemical Properties

Melting point  43 °C
Boiling point  135-138 °C(Press: 7 Torr)
density  1.14±0.1 g/cm3(Predicted)
form  solid
pka 9.27±0.25(Predicted)
InChI 1S/C8H7NS/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,6H2
InChIKey NZKAHCXIOQIGCS-UHFFFAOYSA-N
SMILES N#CC(C=C1)=CC=C1CS

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Skin Sens. 1

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