4-Dimethylamino-1-Naphthyl Isothiocyanate
[CAS 29711-79-3]

Identification

• Classification: Chemical reagent >> Organic reagent >> Thiocyanate / isothiocyanate
• Name: 4-Dimethylamino-1-Naphthyl Isothiocyanate
• Synonyms: 4-Isothiocyanato-N,N-Dimethyl-Naphthalen-1-Amine; 4-Isothiocyanato-N,N-Dimethyl-1-Naphthalenamine; (4-Isothiocyanato-1-Naphthyl)-Dimethyl-Amine
• Molecular Formula: C₁₃H₁₂N₂S
• Molecular Weight: 228.31
• CAS Registry Number: 29711-79-3
• EINECS: 249-800-3
• SMILES: S=C=NC1=CC=C(C2=C1C=CC=C2)N(C)C
• InChI: 1S/C13H12N2S/c1-15(2)13-8-7-12(14-9-16)10-5-3-4-6-11(10)13/h3-8H,1-2H3
• InChIKey: SMZHGTXTWIAKGS-UHFFFAOYSA-N

Properties

• Density: 1.101g/cm³ (Cal.)
• Melting point: 67°C (Expl.)
• Boiling point: 376.585°C at 760 mmHg (Cal.)
• Flash point: 181.553°C (Cal.)