ChemicalBook--->CAS DataBase List--->51776-12-6

51776-12-6

51776-12-6 Structure

51776-12-6 Structure
IdentificationBack Directory
[Name]

4-(mercaptomethyl)benzonitrile
[CAS]

51776-12-6
[Synonyms]

4-(mercaptomethyl)benzonitrile
4-(sulfanylmethyl)benzonitrile
Benzonitrile, 4-(mercaptomethyl)-
[Molecular Formula]

C8H7NS
[MDL Number]

MFCD19257991
[MOL File]

51776-12-6.mol
[Molecular Weight]

149.21
Chemical PropertiesBack Directory
[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 DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Skin Sens. 1
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