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

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Identification
NameEntacapone EP Impurity B
Synonymsethyl (E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)prop-2-enoate
Molecular StructureCAS # 1215039-66-9, Entacapone EP Impurity B
Molecular FormulaC12H10N2O6
Molecular Weight278.22
CAS Registry Number1215039-66-9
SMILESCCOC(=O)/C(=C/C1=CC(=C(C(=C1)O)O)[N+](=O)[O-])/C#N
Properties
Density1.5±0.1 g/cm3, Calc.*
Index of Refraction1.654, Calc.*
Boiling Point457.2±45.0 °C (760 mmHg), Calc.*
Flash Point230.3±28.7 °C, Calc.*
*Calculated using Advanced Chemistry Development (ACD/Labs) Software.
Safety Data
Hazard Symbolssymbol   GHS07 Warning  Details
Risk StatementsH302-H315-H319  Details
Safety StatementsP501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330  Details
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