3-Chloro-N,N-bis(cyanomethyl)-1-benzothiophene-2-carboxamide
[CAS# 600122-12-1]

Identification

• Name: 3-Chloro-N,N-bis(cyanomethyl)-1-benzothiophene-2-carboxamide
• Synonyms: (3-chlorobenzo[b]thiophen-2-yl)-N,N-bis(cyanomethyl)carboxamide; 3-chloro-N,N-bis(cyanomethyl)-1-benzothiophene-2-carboxamide; 3-chloro-N,N-bis(cyanomethyl)benzo[b]thiophene-2-carboxamide
• Molecular Formula: C₁₃H₈ClN₃OS
• Molecular Weight: 289.74
• CAS Registry Number: 600122-12-1
• SMILES: N#CCN(C(=O)c2sc1ccccc1c2Cl)CC#N
• InChI: 1S/C13H8ClN3OS/c14-11-9-3-1-2-4-10(9)19-12(11)13(18)17(7-5-15)8-6-16/h1-4H,7-8H2
• InChIKey: OVSDREMGVUTFJA-UHFFFAOYSA-N

Properties

• Density: 1.448g/cm³ (Cal.)
• Boiling point: 570.864°C at 760 mmHg (Cal.)
• Flash point: 299.048°C (Cal.)
• Refractive index: 1.671 (Cal.)