4-Butylphenyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate

Base Information

• Chemical Name: 4-Butylphenyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate
• CAS No.: 94349-48-1
• Molecular Formula: C20H18 N2 O4 S
• Molecular Weight: 382.43292
• European Community (EC) Number: 305-166-0
• DSSTox Substance ID: DTXSID30915613
• Nikkaji Number: J382.751H
• Wikidata: Q82886637
• Mol file: 94349-48-1.mol

Synonyms:94349-48-1;EINECS 305-166-0;4-Butylphenyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate;DTXSID30915613;4-BUTYLPHENYL 6-DIAZO-5,6-DIHYDRO-5-OXONAPHTHALENE-1-SULFONATE;4-Butylphenyl 6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate;6-Diazo-5,6-dihydro-5-oxo-1-naphthalenesulfonic acid 4-butylphenyl ester

Chemical Property of 4-Butylphenyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate

Chemical Property:

• PSA: 106.21000
• LogP: 4.83906
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 382.09872823
• Heavy Atom Count: 27
• Complexity: 630

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC3=C2C=CC(=C3[O-])[N+]#N

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