3-(4,4-Dimethyl-2-Oxo-1,4-Dihydro-2H-3,1-Benzoxazin-6-Yl)-5-Fluorobenzonitrile
[CAS# 304853-30-3]

Identification

• Name: 3-(4,4-Dimethyl-2-Oxo-1,4-Dihydro-2H-3,1-Benzoxazin-6-Yl)-5-Fluorobenzonitrile
• Synonyms: 3-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-5-fluoro-benzonitrile; 3-(4,4-DIMETHYL-2-OXO-2,4-DIHYDRO-1H-BENZO[D][1,3]OXAZIN-6-YL)-5-FLUOROBENZONITRILE; BENZONITRILE,3-(1,4-DIHYDRO-4,4-DIMETHYL-2-OXO-2H-3,1-BENZOXAZIN-6-YL)-5-FLUORO-
• Molecular Formula: C₁₇H₁₃FN₂O₂
• Molecular Weight: 296.30
• CAS Registry Number: 304853-30-3
• SMILES: CC1(C2=C(C=CC(=C2)C3=CC(=CC(=C3)C#N)F)NC(=O)O1)C
• InChI: 1S/C17H13FN2O2/c1-17(2)14-8-11(3-4-15(14)20-16(21)22-17)12-5-10(9-19)6-13(18)7-12/h3-8H,1-2H3,(H,20,21)
• InChIKey: KVMSWMUZFCLLFV-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 405.7±45.0°C at 760 mmHg (Cal.)
• Flash point: 199.2±28.7°C (Cal.)
• Refractive index: 1.623 (Cal.)