2-(Ethyl(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)amino)ethyl acetoacetate

Base Information

• Chemical Name: 2-(Ethyl(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)amino)ethyl acetoacetate
• CAS No.: 93981-75-0
• Molecular Formula: C21H21 N5 O5 S
• Molecular Weight: 455.48694
• European Community (EC) Number: 301-162-8
• DSSTox Substance ID: DTXSID70240097
• Nikkaji Number: J348.895K
• Mol file: 93981-75-0.mol

Synonyms:93981-75-0;EINECS 301-162-8;2-(Ethyl(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)amino)ethyl acetoacetate;DTXSID70240097;BTDZVOVJIMUWLT-UHFFFAOYSA-N;NS00039847

Chemical Property of 2-(Ethyl(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)amino)ethyl acetoacetate

Chemical Property:

• Vapor Pressure: 9.2E-17mmHg at 25°C
• Boiling Point: 649.7°Cat760mmHg
• Flash Point: 346.7°C
• PSA: 158.28000
• Density: 1.38g/cm³
• LogP: 5.49170
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 10
• Exact Mass: 455.12633996
• Heavy Atom Count: 32
• Complexity: 695

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CCOC(=O)CC(=O)C)C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=NS2)[N+](=O)[O-]