2-Phenoxyethyl N-{4-[(3,5-dinitro-2-thienyl)diazenyl]-3-methylphenyl}-N-ethyl-beta-alaninate
[CAS# 94108-23-3]

Identification

• Name: 2-Phenoxyethyl N-{4-[(3,5-dinitro-2-thienyl)diazenyl]-3-methylphenyl}-N-ethyl-beta-alaninate
• Synonyms: 2-phenoxyethyl N-[4-[(3,5-dinitro-2-thienyl)azo]-3-methylphenyl]-N-ethyl-β-alaninate
• Molecular Formula: C₂₄H₂₅N₅O₇S
• Molecular Weight: 527.55
• CAS Registry Number: 94108-23-3
• EINECS: 302-362-8
• SMILES: CCN(CCC(=O)OCCOc1ccccc1)c3ccc(N=Nc2sc(cc2[N+]([O-])=O)[N+]([O-])=O)c(C)c3
• InChI: 1S/C24H25N5O7S/c1-3-27(12-11-23(30)36-14-13-35-19-7-5-4-6-8-19)18-9-10-20(17(2)15-18)25-26-24-21(28(31)32)16-22(37-24)29(33)34/h4-10,15-16H,3,11-14H2,1-2H3
• InChIKey: FQGKQTRMFPRMQB-UHFFFAOYSA-N

Properties

• Density: 1.364g/cm³ (Cal.)
• Boiling point: 700.508°C at 760 mmHg (Cal.)
• Flash point: 377.454°C (Cal.)