3-[3-(1-Azetidinylmethyl)benzoyl]benzonitrile
[CAS# 898771-39-6]

Identification

• Name: 3-[3-(1-Azetidinylmethyl)benzoyl]benzonitrile
• Synonyms: 3-azetidinomethyl-3'-cyanobenzophenone
• Molecular Formula: C₁₈H₁₆N₂O
• Molecular Weight: 276.33
• CAS Registry Number: 898771-39-6
• SMILES: N#Cc1cccc(c1)C(=O)c2cccc(c2)CN3CCC3
• InChI: 1S/C18H16N2O/c19-12-14-4-1-6-16(10-14)18(21)17-7-2-5-15(11-17)13-20-8-3-9-20/h1-2,4-7,10-11H,3,8-9,13H2
• InChIKey: FZCLWIAUQDOVFB-UHFFFAOYSA-N

Properties

• Density: 1.222g/cm³ (Cal.)
• Boiling point: 446.402°C at 760 mmHg (Cal.)
• Flash point: 223.776°C (Cal.)
• Refractive index: 1.636 (Cal.)