(2-Methoxy-5-Methylphenyl)Acetonitrile
[CAS# 7048-42-2]

Identification

• Name: (2-Methoxy-5-Methylphenyl)Acetonitrile
• Synonyms: 6-[(2-Chloro-6-Fluorophenyl)Methoxy]-2-[(2,6-Dichlorophenyl)Methylidene]-1-Benzofuran-3-One; (2Z)-6-[(2-Chloro-6-Fluoro-Phenyl)Methoxy]-2-[(2,6-Dichlorophenyl)Methylene]Benzofuran-3-One; 6-[(2-Chloro-6-Fluoro-Phenyl)Methoxy]-2-[(2,6-Dichlorophenyl)Methylene]Benzofuran-3-One
• Molecular Formula: C₂₂H₁₂Cl₃FO₃
• Molecular Weight: 449.69
• CAS Registry Number: 7048-42-2
• SMILES: C1=CC=C(F)C(=C1Cl)COC2=CC=C3C(=C2)OC(/C3=O)=C\C4=C(C=CC=C4Cl)Cl
• InChI: 1S/C22H12Cl3FO3/c23-16-3-1-4-17(24)14(16)10-21-22(27)13-8-7-12(9-20(13)29-21)28-11-15-18(25)5-2-6-19(15)26/h1-10H,11H2/b21-10-
• InChIKey: ZEHNJXSQLCLKJY-FBHDLOMBSA-N

Properties

• Density: 1.506g/cm³ (Cal.)
• Boiling point: 597.6°C at 760 mmHg (Cal.)
• Flash point: 234.109°C (Cal.)