(3,5-Dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran-3-yl)methanone - 1,2-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (1:1)
[CAS# 89247-62-1]

Identification

• Name: (3,5-Dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran-3-yl)methanone - 1,2-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (1:1)
• Synonyms: 4H-Pyrazolo(3,4-d)pyrimidin-4-one, 1,5-dihydro-, mixt. with (3,5-dibromo-4-hydroxyphenyl)(2-ethyl-3-benzofuranyl)methanone; Allomaron
• Molecular Formula: C₂₂H₁₆Br₂N₄O₄
• Molecular Weight: 560.19
• CAS Registry Number: 89247-62-1
• SMILES: O=C2/N=C\N=C/1\NN\C=C\12.Brc1cc(cc(Br)c1O)C(=O)c2c3ccccc3oc2CC
• InChI: 1S/C17H12Br2O3.C5H4N4O/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9;10-5-3-1-8-9-4(3)6-2-7-5/h3-8,21H,2H2,1H3;1-2H,(H2,6,7,8,9,10)
• InChIKey: MYCGQBIGBSKSLQ-UHFFFAOYSA-N

Properties

• Boiling point: 514.1°C at 760 mmHg (Cal.)
• Flash point: 264.7°C (Cal.)