Methyl N-{3-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]phenyl}-N-ethyl-beta-alaninate
[CAS# 88351-61-5]

Identification

• Name: Methyl N-{3-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]phenyl}-N-ethyl-beta-alaninate
• Synonyms: methyl N-[3-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]phenyl]-N-ethyl-β-alaninate
• Molecular Formula: C₂₀H₂₁BrN₆O₇
• Molecular Weight: 537.32
• CAS Registry Number: 88351-61-5
• EINECS: 289-407-4
• SMILES: Brc2cc(cc(c2N=Nc1ccc(cc1NC(C)=O)N(CC)CCC(=O)OC)[N+]([O-])=O)[N+]([O-])=O
• InChI: 1S/C20H21BrN6O7/c1-4-25(8-7-19(29)34-3)13-5-6-16(17(10-13)22-12(2)28)23-24-20-15(21)9-14(26(30)31)11-18(20)27(32)33/h5-6,9-11H,4,7-8H2,1-3H3,(H,22,28)
• InChIKey: NXCIMWZLXQMMIF-UHFFFAOYSA-N

Properties

• Density: 1.563g/cm³ (Cal.)
• Boiling point: 740.421°C at 760 mmHg (Cal.)
• Flash point: 401.592°C (Cal.)