3-Bromo-1-{4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl}-1-propanone
[CAS# 646455-90-5]

Identification

• Name: 3-Bromo-1-{4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl}-1-propanone
• Synonyms: 3-BROMO-1-(4-[5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]-1,4-DIAZEPAN-1-YL)PROPAN-1-ONE; 3-bromo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
• Molecular Formula: C₁₄H₁₇BrF₃N₃O
• Molecular Weight: 380.20
• CAS Registry Number: 646455-90-5
• SMILES: FC(F)(F)c1ccc(nc1)N2CCCN(C(=O)CCBr)CC2
• InChI: 1S/C14H17BrF3N3O/c15-5-4-13(22)21-7-1-6-20(8-9-21)12-3-2-11(10-19-12)14(16,17)18/h2-3,10H,1,4-9H2
• InChIKey: RTGMPBFLWPRCFA-UHFFFAOYSA-N

Properties

• Density: 1.473g/cm³ (Cal.)
• Boiling point: 484.855°C at 760 mmHg (Cal.)
• Flash point: 247.032°C (Cal.)
• Refractive index: 1.526 (Cal.)

Safety Data

• Safety Description: Irritant