1-[[(2R,3R)-3-[(2,6-Difluorophenyl)Methoxy]-5-Fluoro-2,3-Dihydro-1-Benzothiophen-2-Yl]Methyl]Imidazole
[CAS# 104456-79-3]

Identification

• Name: 1-[[(2R,3R)-3-[(2,6-Difluorophenyl)Methoxy]-5-Fluoro-2,3-Dihydro-1-Benzothiophen-2-Yl]Methyl]Imidazole
• Synonyms: 1-[[(2R,3R)-3-[(2,6-Difluorophenyl)Methoxy]-5-Fluoro-2,3-Dihydrobenzothiophen-2-Yl]Methyl]Imidazole; 1-[[(2R,3R)-3-(2,6-Difluorobenzyl)Oxy-5-Fluoro-2,3-Dihydrobenzothiophen-2-Yl]Methyl]Imidazole; Cisconazole
• Molecular Formula: C₁₉H₁₅F₃N₂OS
• Molecular Weight: 376.40
• CAS Registry Number: 104456-79-3
• SMILES: [C@H]1(C3=C(S[C@@H]1C[N]2C=CN=C2)C=CC(=C3)F)OCC4=C(C=CC=C4F)F
• InChI: 1S/C19H15F3N2OS/c20-12-4-5-17-13(8-12)19(18(26-17)9-24-7-6-23-11-24)25-10-14-15(21)2-1-3-16(14)22/h1-8,11,18-19H,9-10H2/t18-,19-/m1/s1
• InChIKey: INJPEINGXBVKEB-RTBURBONSA-N

Properties

• Density: 1.397g/cm³ (Cal.)
• Boiling point: 492.337°C at 760 mmHg (Cal.)
• Flash point: 251.556°C (Cal.)