4-{[6-(3,5-Dimethyl-1H-Pyrazol-1-Yl)-4-Pyrimidinyl]Oxy}Benzonitrile
[CAS# 413620-33-4]

Identification

• Name: 4-{[6-(3,5-Dimethyl-1H-Pyrazol-1-Yl)-4-Pyrimidinyl]Oxy}Benzonitrile
• Synonyms: 4-{[6-(3,5-dimethyl-1H-pyrazol-1-yl)-4-pyrimidinyl]oxy}benzonitrile; Benzonitrile, 4-[[6-(3,5-dimethyl-1H-pyrazol-1-yl)-4-pyrimidinyl]oxy]-
• Molecular Formula: C₁₆H₁₃N₅O
• Molecular Weight: 291.31
• CAS Registry Number: 413620-33-4
• SMILES: N#Cc1ccc(cc1)Oc2ncnc(c2)n3nc(C)cc3C
• InChI: 1S/C16H13N5O/c1-11-7-12(2)21(20-11)15-8-16(19-10-18-15)22-14-5-3-13(9-17)4-6-14/h3-8,10H,1-2H3
• InChIKey: WJCFQSJDWHGHNA-UHFFFAOYSA-N

Properties

• Density: 1.261g/cm³ (Cal.)
• Boiling point: 489.027°C at 760 mmHg (Cal.)
• Flash point: 249.555°C (Cal.)
• Refractive index: 1.653 (Cal.)