Triethyl 2-Fluoro-2-phosphonoacetate

• Catalog: OFC2356163-1
• CAS: 2356-16-3
• Category: Other Fluorinated Group Introducing Agents
• Synonyms: (Diethoxyphosphinyl)fluoroacetic Acid Ethyl Ester; Ethyl (Diethoxyphosphinyl)fluoroacetate; 2-Fluoro-2-phosphonoacetic Acid Triethyl Ester
• Purity: >95.0%(GC)
• MDL Number: MFCD00134400

• IUPAC Name: ethyl 2-diethoxyphosphoryl-2-fluoroacetate
• InChI: InChI=1S/C8H16FO5P/c1-4-12-8(10)7(9)15(11,13-5-2)14-6-3/h7H,4-6H2,1-3H3
• InChI Key: FVPISMANESAJQZ-UHFFFAOYSA-N
• Isomeric SMILES: CCOC(=O)C(F)P(=O)(OCC)OCC
• EC Number: 627-648-2
• Reaxys Registry Number: 1912161

• Molecular Formula: C8H16FO5P
• Molecular Weight: 242.18
• Boiling Point: 200 °C (16 mmHg)
• Flash Point: 73 °C
• Specific Gravity: 1.19
• Refractive Index: 1.42
• Appearance: Colorless to almost colorless clear liquid
• Storage: Store under inert gas
• Stability: Moisture sensitive, Heat sensitive

• XLogP3-AA: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 242.07193877 g/mol
• Monoisotopic Mass: 242.07193877 g/mol
• Topological Polar Surface Area: 61.8Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 235

• HS Number: 2931.90.9051