4-[Difluoro(Phosphono)Methyl]-L-Phenylalanine
[CAS# 188642-79-7]

Identification

• Name: 4-[Difluoro(Phosphono)Methyl]-L-Phenylalanine
• Synonyms: 4-(PHOSPHONODIFLUOROMETHYL)-L-PHENYLALANINE; DEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINE; FTY
• Molecular Formula: C₁₀H₁₂F₂NO₅P
• Molecular Weight: 295.18
• CAS Registry Number: 188642-79-7
• SMILES: C1=CC(=CC=C1C[C@@H](C(=O)O)N)C(F)(F)P(=O)(O)O
• InChI: 1S/C10H12F2NO5P/c11-10(12,19(16,17)18)7-3-1-6(2-4-7)5-8(13)9(14)15/h1-4,8H,5,13H2,(H,14,15)(H2,16,17,18)/t8-/m0/s1
• InChIKey: HRDUMKHDIFUQGB-QMMMGPOBSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Boiling point: 519.5±60.0°C at 760 mmHg (Cal.)
• Flash point: 268.0±32.9°C (Cal.)
• Refractive index: 1.566 (Cal.)