1-(trans-4-Hexylcyclohexyl)-4-isothiocyanatobenzene
[CAS# 92444-14-9]

Identification

• Name: 1-(trans-4-Hexylcyclohexyl)-4-isothiocyanatobenzene
• Synonyms: 4-(4-isothiocyanatophenyl)-1-(4-trans-hexyl)cyclohexane; 4-(trans-4′-n-hexylcyclohexyl)isothiocyanatobenzene; 4-(trans-4-Hexylcyclohexyl)phenyl isothiocyanate
• Molecular Formula: C₁₉H₂₇NS
• Molecular Weight: 301.49
• CAS Registry Number: 92444-14-9
• SMILES: S=C=N\c1ccc(cc1)[C@@H]2CC[C@@H](CCCCCC)CC2
• InChI: 1S/C19H27NS/c1-2-3-4-5-6-16-7-9-17(10-8-16)18-11-13-19(14-12-18)20-15-21/h11-14,16-17H,2-10H2,1H3/t16-,17-
• InChIKey: STLICVZWECVJDT-QAQDUYKDSA-N

Properties

• Density: 1.026g/cm³ (Cal.)
• Boiling point: 418.475°C at 760 mmHg (Cal.)
• Flash point: 222.499°C (Cal.)

References

• (1): Zuzana Mitróová, Natália TomaÅ¡oviÄová, Milan Timko, Martina Koneracká, Jozef KováÄ, Jan Jadzyn, Ivo Vávra, Nándor Éber, Tibor Tóth-Katona, Eric Beaugnon, Xavier Chaud and Peter KopÄanskà ½. The sensitivity of liquid crystal doped with functionalized carbon nanotubes to external magnetic fields, New J. Chem., 2011, 35, 1260.