4,4'-Diantipyrylmethane Monohydrate
[CAS# 71501-10-5]

Identification

• Name: 4,4'-Diantipyrylmethane Monohydrate
• Synonyms: 4-[(1,5-Dimethyl-3-Oxo-2-Phenyl-Pyrazol-4-Yl)Methyl]-1,5-Dimethyl-2-Phenyl-Pyrazol-3-One; 4-[(1,5-Dimethyl-3-Oxo-2-Phenyl-4-Pyrazolyl)Methyl]-1,5-Dimethyl-2-Phenyl-3-Pyrazolone; 4-[(3-Keto-1,5-Dimethyl-2-Phenyl-Pyrazol-4-Yl)Methyl]-1,5-Dimethyl-2-Phenyl-Pyrazol-3-One
• Molecular Formula: C₂₃H₂₄N₄O₂
• Molecular Weight: 388.47
• CAS Registry Number: 71501-10-5
• SMILES: C4=C(N1C(C(=C(N1C)C)CC2=C(N(C)N(C2=O)C3=CC=CC=C3)C)=O)C=CC=C4
• InChI: 1S/C23H24N4O2/c1-16-20(22(28)26(24(16)3)18-11-7-5-8-12-18)15-21-17(2)25(4)27(23(21)29)19-13-9-6-10-14-19/h5-14H,15H2,1-4H3
• InChIKey: QATHNKNPUVVKHK-UHFFFAOYSA-N

Properties

• Density: 1.232g/cm³ (Cal.)
• Melting point: 155°C (Expl.)
• Boiling point: 515.177°C at 760 mmHg (Cal.)
• Flash point: 212.494°C (Cal.)

Safety Data

• Safety Description: CAUTION: May irritate eyes, skin, and respiratory tract