4-(2-Chloro-4-fluorobenzyl)-1-{[6-(trifluoromethyl)-3-pyridinyl]methyl}-1,4-diazepan-5-one
[CAS# 909668-92-4]

Identification

• Name: 4-(2-Chloro-4-fluorobenzyl)-1-{[6-(trifluoromethyl)-3-pyridinyl]methyl}-1,4-diazepan-5-one
• Synonyms: 4-(2-chloro-4-fluorobenzyl)-1-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-1,4-diazepan-5-one
• Molecular Formula: C₁₉H₁₈ClF₄N₃O
• Molecular Weight: 415.81
• CAS Registry Number: 909668-92-4
• SMILES: FC(F)(F)c3ccc(CN1CCC(=O)N(CC1)Cc2ccc(F)cc2Cl)cn3
• InChI: 1S/C19H18ClF4N3O/c20-16-9-15(21)3-2-14(16)12-27-8-7-26(6-5-18(27)28)11-13-1-4-17(25-10-13)19(22,23)24/h1-4,9-10H,5-8,11-12H2
• InChIKey: XYLLSIHMLHHZEF-UHFFFAOYSA-N

Properties

• Density: 1.375g/cm³ (Cal.)
• Boiling point: 509.038°C at 760 mmHg (Cal.)
• Flash point: 261.657°C (Cal.)
• Refractive index: 1.552 (Cal.)