5-Bromo-2-Methoxyphenylacetonitrile
[CAS# 7062-40-0]

Identification

• Name: 5-Bromo-2-Methoxyphenylacetonitrile
• Synonyms: 2-Allylsulfanyl-8,8-Dimethyl-5-(3-Pyridyl)-5,7,9,10-Tetrahydro-1H-Pyrimido[6,5-B]Quinoline-4,6-Dione; 2-(Allylthio)-8,8-Dimethyl-5-(3-Pyridyl)-5,7,9,10-Tetrahydro-1H-Pyrimido[6,5-B]Quinoline-4,6-Dione; 2-(Allylthio)-8,8-Dimethyl-5-(3-Pyridyl)-5,7,9,10-Tetrahydro-1H-Pyrimido[6,5-B]Quinoline-4,6-Quinone
• Molecular Formula: C₂₁H₂₂N₄O₂S
• Molecular Weight: 394.49
• CAS Registry Number: 7062-40-0
• SMILES: C1=CC=NC=C1C2C4=C(NC3=C2C(=O)N=C(SCC=C)N3)CC(CC4=O)(C)C
• InChI: 1S/C21H22N4O2S/c1-4-8-28-20-24-18-17(19(27)25-20)15(12-6-5-7-22-11-12)16-13(23-18)9-21(2,3)10-14(16)26/h4-7,11,15H,1,8-10H2,2-3H3,(H2,23,24,25,27)
• InChIKey: WEEJEADAYPXFQV-UHFFFAOYSA-N

Properties

• Density: 1.374g/cm³ (Cal.)
• Boiling point: 580.827°C at 760 mmHg (Cal.)
• Flash point: 305.073°C (Cal.)