Methyl (1R,4S,6R)-7-fluoro-3-oxo-2-oxabicyclo[2.2.2]oct-7-ene-6-carboxylate
[CAS# 847823-78-3]

Identification

• Name: Methyl (1R,4S,6R)-7-fluoro-3-oxo-2-oxabicyclo[2.2.2]oct-7-ene-6-carboxylate
• Synonyms: (1R,4S,7R)-methyl 6-fluoro-3-oxo-2-oxabicyclo[2.2.2]oct-5-ene-7-carboxylate
• Molecular Formula: C₉H₉FO₄
• Molecular Weight: 200.16
• CAS Registry Number: 847823-78-3
• SMILES: COC(=O)[C@@H]1C[C@H]2C=C([C@@H]1OC2=O)F
• InChI: 1S/C9H9FO4/c1-13-9(12)5-2-4-3-6(10)7(5)14-8(4)11/h3-5,7H,2H2,1H3/t4-,5+,7+/m0/s1
• InChIKey: TZSREGITOUCCEY-HBPOCXIASA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 331.2±42.0°C at 760 mmHg (Cal.)
• Flash point: 149.0±22.8°C (Cal.)
• Refractive index: 1.498 (Cal.)