2-[Ethyl[4-[(5-Nitro-2,1-Benzisothiazol-3-Yl)Azo]Phenyl]Amino]Ethyl Acetoacetate
[CAS# 93981-75-0]

Identification

• Name: 2-[Ethyl[4-[(5-Nitro-2,1-Benzisothiazol-3-Yl)Azo]Phenyl]Amino]Ethyl Acetoacetate
• Synonyms: 2-[Ethyl-[4-[(5-Nitro-2,1-Benzothiazol-3-Yl)Azo]Phenyl]Amino]Ethyl 3-Oxobutanoate; 3-Oxobutanoic Acid 2-[Ethyl-[4-[(5-Nitro-2,1-Benzothiazol-3-Yl)Azo]Phenyl]Amino]Ethyl Ester; 3-Ketobutyric Acid 2-[Ethyl-[4-[(5-Nitro-2,1-Benzothiazol-3-Yl)Azo]Phenyl]Amino]E
• Molecular Formula: C₂₁H₂₁N₅O₅S
• Molecular Weight: 455.49
• CAS Registry Number: 93981-75-0
• EINECS: 301-162-8
• SMILES: C1=C(N(CCOC(=O)CC(=O)C)CC)C=CC(=C1)N=NC2=C3C(=NS2)C=CC(=C3)[N+]([O-])=O
• InChI: 1S/C21H21N5O5S/c1-3-25(10-11-31-20(28)12-14(2)27)16-6-4-15(5-7-16)22-23-21-18-13-17(26(29)30)8-9-19(18)24-32-21/h4-9,13H,3,10-12H2,1-2H3
• InChIKey: BTDZVOVJIMUWLT-UHFFFAOYSA-N

Properties

• Density: 1.385g/cm³ (Cal.)
• Boiling point: 649.678°C at 760 mmHg (Cal.)
• Flash point: 346.713°C (Cal.)