4-(Hexadecyloxy)Phenyl Isothiocyanate
[CAS# 6637-40-7]

Identification

• Name: 4-(Hexadecyloxy)Phenyl Isothiocyanate
• Synonyms: 1-Hexadecoxy-4-Isothiocyanato-Benzene; 1-Cetyloxy-4-Isothiocyanato-Benzene; (P-Cetoxyphenyl)Isothiocyanate
• Molecular Formula: C₂₃H₃₇NOS
• Molecular Weight: 375.61
• CAS Registry Number: 6637-40-7
• SMILES: S=C=NC1=CC=C(C=C1)OCCCCCCCCCCCCCCCC
• InChI: 1S/C23H37NOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25-23-18-16-22(17-19-23)24-21-26/h16-19H,2-15,20H2,1H3
• InChIKey: QZYKAALLMYWYRA-UHFFFAOYSA-N

Properties

• Density: 0.955g/cm³ (Cal.)
• Boiling point: 484.265°C at 760 mmHg (Cal.)
• Flash point: 246.675°C (Cal.)