N-(2-Chloroethyl)-3-[Ethyl[4-[(5-Nitro-2,1-Benzisothiazol-3-Yl)Azo]Phenyl]Amino]Propionamide
[CAS# 84100-07-2]

Identification

• Name: N-(2-Chloroethyl)-3-[Ethyl[4-[(5-Nitro-2,1-Benzisothiazol-3-Yl)Azo]Phenyl]Amino]Propionamide
• Synonyms: N-(2-Chloroethyl)-3-[Ethyl-[4-[(5-Nitro-2,1-Benzothiazol-3-Yl)Azo]Phenyl]Amino]Propanamide; N-(2-Chloroethyl)-3-[Ethyl-[4-[(5-Nitro-2,1-Benzothiazol-3-Yl)Azo]Phenyl]Amino]Propionamide
• Molecular Formula: C₂₀H₂₁ClN₆O₃S
• Molecular Weight: 460.94
• CAS Registry Number: 84100-07-2
• EINECS: 282-088-2
• SMILES: C1=C(N(CCC(=O)NCCCl)CC)C=CC(=C1)N=NC2=C3C(=NS2)C=CC(=C3)[N+]([O-])=O
• InChI: 1S/C20H21ClN6O3S/c1-2-26(12-9-19(28)22-11-10-21)15-5-3-14(4-6-15)23-24-20-17-13-16(27(29)30)7-8-18(17)25-31-20/h3-8,13H,2,9-12H2,1H3,(H,22,28)
• InChIKey: UDSMBLVBRYEGJY-UHFFFAOYSA-N

Properties

• Density: 1.423g/cm³ (Cal.)
• Boiling point: 719.229°C at 760 mmHg (Cal.)
• Flash point: 388.776°C (Cal.)