3-Ethyl-4-Fluoro-6-Nitro-1,3-Benzoxazol-2(3H)-One
[CAS# 590422-20-1]

Identification

• Name: 3-Ethyl-4-Fluoro-6-Nitro-1,3-Benzoxazol-2(3H)-One
• Synonyms: 3-ethyl-4-fluoro-6-nitrobenzo[d]oxazol-2(3H)-one
• Molecular Formula: C₉H₇FN₂O₄
• Molecular Weight: 226.16
• CAS Registry Number: 590422-20-1
• SMILES: CCn1c2c(cc(cc2F)[N+](=O)[O-])oc1=O
• InChI: 1S/C9H7FN2O4/c1-2-11-8-6(10)3-5(12(14)15)4-7(8)16-9(11)13/h3-4H,2H2,1H3
• InChIKey: ZYTDLKAVZUDXLQ-UHFFFAOYSA-N

Properties

• Density: 1.5g/cm³ (Cal.)
• Boiling point: 331.672°C at 760 mmHg (Cal.)
• Flash point: 154.39°C (Cal.)
• Refractive index: 1.583 (Cal.)