2-(4-Fluorophenyl)-5-[(1S)-1-Isocyanatoethyl]-1,3-Benzoxazole
[CAS# 125836-69-3]

Identification

• Name: 2-(4-Fluorophenyl)-5-[(1S)-1-Isocyanatoethyl]-1,3-Benzoxazole
• Synonyms: (S)-2-(4-Fluorophenyl)-5-(1-Isocyanatoethyl)Benzoxazole; Benzoxazole, 2-(4-Fluorophenyl)-5-(1-Isocyanatoethyl)-, (S)-; Flunoxaprofen Isocyanate
• Molecular Formula: C₁₆H₁₁FN₂O₂
• Molecular Weight: 282.27
• CAS Registry Number: 125836-69-3
• SMILES: [C@@H](C2=CC=C1OC(=NC1=C2)C3=CC=C(C=C3)F)(C)N=C=O
• InChI: 1S/C16H11FN2O2/c1-10(18-9-20)12-4-7-15-14(8-12)19-16(21-15)11-2-5-13(17)6-3-11/h2-8,10H,1H3/t10-/m0/s1
• InChIKey: UFVXLFRBVOVOFV-JTQLQIEISA-N

Properties

• Density: 1.284g/cm³ (Cal.)
• Boiling point: 375.838°C at 760 mmHg (Cal.)
• Flash point: 181.101°C (Cal.)