Dibunate

Base Information

• Chemical Name: Dibunate
• CAS No.: 14992-58-6
• Molecular Formula: C18H24 O3 S
• Molecular Weight: 320.44636
• European Community (EC) Number: 239-078-8
• UNII: ZXY319VL5S
• DSSTox Substance ID: DTXSID7048245
• Nikkaji Number: J241.374D
• Wikipedia: Dibunate
• Wikidata: Q1969733
• NCI Thesaurus Code: C171743
• Metabolomics Workbench ID: 154576
• ChEMBL ID: CHEMBL1865134
• Mol file: 14992-58-6.mol

Synonyms:Dibunate;Acide dibunique;DIBUNIC ACID;14992-58-6;Dibunate [INN];2,6-ditert-butylnaphthalene-1-sulfonic acid;Acidum dibunicum;2,6-Di-tert-butylnaphthalene-1-sulphonic acid;Acide dibunique [DCF];UNII-ZXY319VL5S;ZXY319VL5S;EINECS 239-078-8;2,6-Bis(1,1-dimethylethyl)-1-naphthalenesulfonic acid;SCHEMBL143895;CHEMBL1865134;DTXSID7048245;CHEBI:146215;DB13796;Q1969733;2,6-DI-TERT-BUTYLNAPHTHALENE-1-SULFONIC ACID;1-NAPHTHALENESULFONIC ACID, 2,6-DI-TERT-BUTYL-;1-Naphthalenesulfonic acid, 2,6-bis(1,1-dimethylethyl)-

Chemical Property of Dibunate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 62.75000
• Density: 1.145g/cm³
• LogP: 5.76230
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 320.14461580
• Heavy Atom Count: 22
• Complexity: 490

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC2=C(C=C1)C(=C(C=C2)C(C)(C)C)S(=O)(=O)O

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