2-Amino-4-(3-Bromophenyl)-7-Methyl-5-Oxo-4H,5H-Pyrano[4,3-b]Pyran-3-Carbonitrile
[CAS# 331950-32-4]

Identification

• Name: 2-Amino-4-(3-Bromophenyl)-7-Methyl-5-Oxo-4H,5H-Pyrano[4,3-b]Pyran-3-Carbonitrile
• Synonyms: 2-amino-4-(3-bromophenyl)-7-methyl-5-oxo-4,5-dihydropyrano[4,3-b]pyran-3-carbonitrile; 2-amino-4-(3-bromophenyl)-7-methyl-5-oxo-4H,5H-pyrano-[4,3-b]pyran-3-carbonitrile
• Molecular Formula: C₁₆H₁₁BrN₂O₃
• Molecular Weight: 359.17
• CAS Registry Number: 331950-32-4
• SMILES: CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC(=CC=C3)Br)C(=O)O1
• InChI: 1S/C16H11BrN2O3/c1-8-5-12-14(16(20)21-8)13(11(7-18)15(19)22-12)9-3-2-4-10(17)6-9/h2-6,13H,19H2,1H3
• InChIKey: HQTWOJWKEAIUFT-UHFFFAOYSA-N

Properties

• Density: 1.7±0.1g/cm³ (Cal.)
• Boiling point: 608.6±55.0°C at 760 mmHg (Cal.)
• Flash point: 321.9±31.5°C (Cal.)
• Refractive index: 1.689 (Cal.)