2-Phenoxyethyl N-methyl-N-{3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl}-beta-alaninate
[CAS# 88470-43-3]

Identification

• Name: 2-Phenoxyethyl N-methyl-N-{3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl}-beta-alaninate
• Synonyms: 2-phenoxyethyl N-methyl-N-[3-methyl-4-[(5-nitro-2-thiazolyl)azo]phenyl]-β-alaninate
• Molecular Formula: C₂₂H₂₃N₅O₅S
• Molecular Weight: 469.51
• CAS Registry Number: 88470-43-3
• EINECS: 289-414-2
• SMILES: O=C(OCCOc1ccccc1)CCN(C)c3ccc(N=Nc2ncc(s2)[N+]([O-])=O)c(C)c3
• InChI: 1S/C22H23N5O5S/c1-16-14-17(8-9-19(16)24-25-22-23-15-20(33-22)27(29)30)26(2)11-10-21(28)32-13-12-31-18-6-4-3-5-7-18/h3-9,14-15H,10-13H2,1-2H3
• InChIKey: MGBYXZXPDPRITM-UHFFFAOYSA-N

Properties

• Density: 1.326g/cm³ (Cal.)
• Boiling point: 643.129°C at 760 mmHg (Cal.)
• Flash point: 342.752°C (Cal.)