3-Methyl-2H-1,4-Benzoxazin-2-One
[CAS# 7653-60-3]

Identification

• Name: 3-Methyl-2H-1,4-Benzoxazin-2-One
• Synonyms: Brn 1073158; 2H-1,4-Benzoxazin-2-One, 3-Methyl-; 3-Methyl-2H-1,4-Benzoxazin-2-One
• Molecular Formula: C₉H₇NO₂
• Molecular Weight: 161.16
• CAS Registry Number: 7653-60-3
• SMILES: C1=CC=CC2=C1OC(=O)C(=N2)C
• InChI: 1S/C9H7NO2/c1-6-9(11)12-8-5-3-2-4-7(8)10-6/h2-5H,1H3
• InChIKey: PEEMVDRTQBESEN-UHFFFAOYSA-N

Properties

• Density: 1.26g/cm³ (Cal.)
• Boiling point: 283.471°C at 760 mmHg (Cal.)
• Flash point: 144.745°C (Cal.)

References

• (1): Mondelli R. Tautomerism in side-chain derivatives of n-heterocycles NMR and UV spectra—I, Tetrahedron, 1966