2-Isocyanato-2-(Trifluoromethyl)-1,3-Benzoxathiole
[CAS# 159259-21-9]

Identification

• Name: 2-Isocyanato-2-(Trifluoromethyl)-1,3-Benzoxathiole
• Synonyms: 2-isocyanato-2-(trifluoromethyl)benzo[d][1,3]oxathiole
• Molecular Formula: C₉H₄F₃NO₂S
• Molecular Weight: 247.19
• CAS Registry Number: 159259-21-9
• SMILES: c1ccc2c(c1)OC(S2)(C(F)(F)F)N=C=O
• InChI: 1S/C9H4F3NO2S/c10-8(11,12)9(13-5-14)15-6-3-1-2-4-7(6)16-9/h1-4H
• InChIKey: CNVYXKIUEJLBNG-UHFFFAOYSA-N

Properties

• Density: 1.517g/cm³ (Cal.)
• Boiling point: 278.028°C at 760 mmHg (Cal.)
• Flash point: 121.948°C (Cal.)
• Refractive index: 1.56 (Cal.)