1-[(1S)-1-Isothiocyanatoethyl]Naphthalene
[CAS# 131074-55-0]

Identification

• Name: 1-[(1S)-1-Isothiocyanatoethyl]Naphthalene
• Synonyms: (S)-(+)-1-(1-Naphthyl)ethyl isothiocyanate; (S)-1-(1-Naphthyl)ethylisothiocyanate; ZINC02525813
• Molecular Formula: C₁₃H₁₁NS
• Molecular Weight: 213.30
• CAS Registry Number: 131074-55-0
• SMILES: C[C@@H](C1=CC=CC2=CC=CC=C21)N=C=S
• InChI: 1S/C13H11NS/c1-10(14-9-15)12-8-4-6-11-5-2-3-7-13(11)12/h2-8,10H,1H3/t10-/m0/s1
• InChIKey: PGJWLIIUEIYCSF-JTQLQIEISA-N

Properties

• Density: 1.154 (Expl.)
• Boiling point: 354.4±11.0°C at 760 mmHg (Cal.)
• Flash point: 177.8±27.1°C (Cal.)
• Refractive index: 1.6 (Cal.)

Safety Data

• Safety Code: S26;S36/37/39;S45
• Risk Code: R20/21/22;R34
• Hazard Symbol: X;C
• Transport Information: UN2922
• Safety Description: HARMFUL / IRRITANT

References

• (1): Haslin Dato Paduka Ali, Susan J. Quinn, Thomas McCabe, Paul E. Kruger and Thorfinnur Gunnlaugsson. Crystallographic, 1H NMR and CD studies of sterically strained thiourea anion receptors possessing two stereogenic centres, New J. Chem., 2009, 33, 793.