Methyl N-{5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-ethoxyphenyl}-beta-alaninate
[CAS# 94108-94-8]

Identification

• Name: Methyl N-{5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-ethoxyphenyl}-beta-alaninate
• Synonyms: methyl N-[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-ethoxyphenyl]β-alaninate
• Molecular Formula: C₂₀H₂₁BrN₆O₈
• Molecular Weight: 553.32
• CAS Registry Number: 94108-94-8
• EINECS: 302-431-2
• SMILES: Brc2cc(cc(c2N=Nc1cc(OCC)c(NCCC(=O)OC)cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O
• InChI: 1S/C20H21BrN6O8/c1-4-35-18-10-15(14(23-11(2)28)9-16(18)22-6-5-19(29)34-3)24-25-20-13(21)7-12(26(30)31)8-17(20)27(32)33/h7-10,22H,4-6H2,1-3H3,(H,23,28)
• InChIKey: PBUMZYFAPJBJMW-UHFFFAOYSA-N

Properties

• Density: 1.608g/cm³ (Cal.)
• Boiling point: 766.114°C at 760 mmHg (Cal.)
• Flash point: 417.131°C (Cal.)