2,2,4,4-Tetrafluoro-6-Isocyanato-4H-1,3-Benzodioxine
[CAS# 26030-46-6]

Identification

• Name: 2,2,4,4-Tetrafluoro-6-Isocyanato-4H-1,3-Benzodioxine
• Synonyms: 2,2,4,4-Tetrafluoro-4H-1,3-benzodioxin-6-yl isocyanate; 2,2,4,4-Tetrafluoro-6-Isocyanato-1,3-benzodioxane; 2,2,4,4-tetrafluorobenzo[e]1,3-dioxin-6-isocyanate
• Molecular Formula: C₉H₃F₄NO₃
• Molecular Weight: 249.12
• CAS Registry Number: 26030-46-6
• SMILES: O=C=N\c2ccc1OC(F)(F)OC(F)(F)c1c2
• InChI: 1S/C9H3F4NO3/c10-8(11)6-3-5(14-4-15)1-2-7(6)16-9(12,13)17-8/h1-3H
• InChIKey: MWFKCAONPRJVKK-UHFFFAOYSA-N

Properties

• Density: 1.578g/cm³ (Cal.)
• Melting point: 44°C (Expl.)
• Boiling point: 236.436°C at 760 mmHg (Cal.)
• Flash point: 96.793°C (Cal.)
• Refractive index: 1.497 (Cal.)

Safety Data

• Safety Description: S13,S22,S24/25,S26,S36/37/39,S45