2-Amino-4-(4-Bromophenyl)-7-Methyl-5-Oxo-4H,5H-Pyrano[4,3-b]Pyran-3-Carbonitrile
[CAS# 220986-36-7]

Identification

• Name: 2-Amino-4-(4-Bromophenyl)-7-Methyl-5-Oxo-4H,5H-Pyrano[4,3-b]Pyran-3-Carbonitrile
• Synonyms: 2-amino-4-(4-bromophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile; MFCD00742782
• Molecular Formula: C₁₆H₁₁BrN₂O₃
• Molecular Weight: 359.17
• CAS Registry Number: 220986-36-7
• SMILES: Brc1ccc(cc1)C3C(/C#N)=C(\O\C2=C3\C(=O)O\C(=C2)C)N
• InChI: 1S/C16H11BrN2O3/c1-8-6-12-14(16(20)21-8)13(11(7-18)15(19)22-12)9-2-4-10(17)5-3-9/h2-6,13H,19H2,1H3
• InChIKey: UJUKDTPFNKNATE-UHFFFAOYSA-N

Properties

• Density: 1.663g/cm³ (Cal.)
• Boiling point: 609.74°C at 760 mmHg (Cal.)
• Flash point: 322.559°C (Cal.)
• Refractive index: 1.689 (Cal.)