Methyl N-{5-acetamido-4-[(2-chloro-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl}-N-ethyl-beta-alaninate
[CAS# 93805-18-6]

Identification

• Name: Methyl N-{5-acetamido-4-[(2-chloro-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl}-N-ethyl-beta-alaninate
• Synonyms: methyl N-[5-(acetylamino)-4-[(2-chloro-4,6-dinitrophenyl)azo]-2-methoxyphenyl]-N-ethyl-β-alaninate
• Molecular Formula: C₂₁H₂₃ClN₆O₈
• Molecular Weight: 522.90
• CAS Registry Number: 93805-18-6
• EINECS: 298-500-9
• SMILES: Clc2cc(cc(c2N=Nc1cc(OC)c(cc1NC(C)=O)N(CC)CCC(=O)OC)[N+]([O-])=O)[N+]([O-])=O
• InChI: 1S/C21H23ClN6O8/c1-5-26(7-6-20(30)36-4)17-10-15(23-12(2)29)16(11-19(17)35-3)24-25-21-14(22)8-13(27(31)32)9-18(21)28(33)34/h8-11H,5-7H2,1-4H3,(H,23,29)
• InChIKey: QNBFBSBKIRJEOT-UHFFFAOYSA-N

Properties

• Density: 1.444g/cm³ (Cal.)
• Boiling point: 739.067°C at 760 mmHg (Cal.)
• Flash point: 400.773°C (Cal.)