4-[Butanoyl(4-methylbenzene-1-sulfonyl)amino]-2,3,6-trichlorophenyl butanoate

Base Information

• Chemical Name: 4-[Butanoyl(4-methylbenzene-1-sulfonyl)amino]-2,3,6-trichlorophenyl butanoate
• CAS No.: 5227-96-3
• Molecular Formula: C21H22Cl3NO5S
• Molecular Weight: 506.8271
• DSSTox Substance ID: DTXSID30367774
• Wikidata: Q82153847

Synonyms:5227-96-3;[4-[butanoyl-(4-methylphenyl)sulfonylamino]-2,3,6-trichlorophenyl] butanoate;4-[Butanoyl(4-methylbenzene-1-sulfonyl)amino]-2,3,6-trichlorophenyl butanoate;Oprea1_399489;Oprea1_574095;DTXSID30367774

Chemical Property of 4-[Butanoyl(4-methylbenzene-1-sulfonyl)amino]-2,3,6-trichlorophenyl butanoate

Chemical Property:

• Vapor Pressure: 1.61E-15mmHg at 25°C
• Boiling Point: 624.6°Cat760mmHg
• Flash Point: 331.6°C
• Density: 1.382g/cm³
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 505.028427
• Heavy Atom Count: 31
• Complexity: 721

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)N(C1=CC(=C(C(=C1Cl)Cl)OC(=O)CCC)Cl)S(=O)(=O)C2=CC=C(C=C2)C

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