Methyl (1R,4S,5S)-7-fluoro-3-oxo-2-oxabicyclo[2.2.2]oct-7-ene-5-carboxylate
[CAS# 847823-77-2]

Identification

• Name: Methyl (1R,4S,5S)-7-fluoro-3-oxo-2-oxabicyclo[2.2.2]oct-7-ene-5-carboxylate
• Synonyms: (1R,4S,8S)-methyl 6-fluoro-3-oxo-2-oxabicyclo[2.2.2]oct-5-ene-8-carboxylate
• Molecular Formula: C₉H₉FO₄
• Molecular Weight: 200.16
• CAS Registry Number: 847823-77-2
• SMILES: COC(=O)[C@H]1C[C@@H]2C(=C[C@H]1C(=O)O2)F
• InChI: 1S/C9H9FO4/c1-13-8(11)5-3-7-6(10)2-4(5)9(12)14-7/h2,4-5,7H,3H2,1H3/t4-,5+,7-/m1/s1
• InChIKey: PUCXSGKEXDTNTF-JCGDXUMPSA-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.)