Allopurinol USP Related Compound F
[CAS# 321571-07-7]

Identification

• Name: Allopurinol USP Related Compound F
• Synonyms: ethyl 5-[(2-cyano-3-ethoxy-3-oxoprop-1-enyl)amino]-1H-pyrazole-4-carboxylate
• Molecular Formula: C₁₂H₁₄N₄O₄
• Molecular Weight: 278.26
• CAS Registry Number: 321571-07-7
• SMILES: CCOC(=O)C1=C(NN=C1)NC=C(C#N)C(=O)OCC

Properties

• Solubility: 3194 mg/L (25 °C water)
• Density: 1.3±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.585, Calc.^*
• Melting point: 156.24 °C
• Boiling Point: 433.09 °C, 483.8±45.0 °C (760 mmHg), Calc.^*
• Flash Point: 246.4±28.7 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS07 Warning
• Risk Statements: H315-H319-H335
• Safety Statements: P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P362-P403+P233-P405-P501