Entacapone EP Impurity B
[CAS# 1215039-66-9]

Identification

• Name: Entacapone EP Impurity B
• Synonyms: ethyl (E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)prop-2-enoate
• Molecular Formula: C₁₂H₁₀N₂O₆
• Molecular Weight: 278.22
• CAS Registry Number: 1215039-66-9
• SMILES: CCOC(=O)/C(=C/C1=CC(=C(C(=C1)O)O)[N+](=O)[O-])/C#N

Properties

• Density: 1.5±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.654, Calc.^*
• Boiling Point: 457.2±45.0 ºC (760 mmHg), Calc.^*
• Flash Point: 230.3±28.7 ºC, Calc.^*

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

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H302-H315-H319
• Precautionary Statements: P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330