3-Amino-5-Phenyl-1H-Pyrazole-4-Carbonitrile
[CAS# 42754-61-0]

Identification

• Name: 3-Amino-5-Phenyl-1H-Pyrazole-4-Carbonitrile
• Synonyms: 3-Amino-5-phenylpyrazole-4-carbonitrile
• Molecular Formula: C₁₀H₈N₄
• Molecular Weight: 184.20
• CAS Registry Number: 42754-61-0
• SMILES: C1=CC=C(C=C1)C2=C(C(=NN2)N)C#N
• InChI: 1S/C10H8N4/c11-6-8-9(13-14-10(8)12)7-4-2-1-3-5-7/h1-5H,(H3,12,13,14)
• InChIKey: PGZXQQILVKKFAU-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 537.7±50.0°C at 760 mmHg (Cal.)
• Flash point: 279.0±30.1°C (Cal.)

References

• (1): Irene C. Christoforou and Panayiotis A. Koutentis. New regiospecific isothiazole C–C coupling chemistry, Org. Biomol. Chem., 2006, 4, 3681.