Benzoic acid, 4,4'-sulfonylbis-, dibutyl ester

Base Information

• Chemical Name: Benzoic acid, 4,4'-sulfonylbis-, dibutyl ester
• CAS No.: 3971-35-5
• Molecular Formula: C22H26O6S
• Molecular Weight: 418.5032
• NSC Number: 404346
• UNII: ENZ6J5NTV5
• DSSTox Substance ID: DTXSID30883924
• Nikkaji Number: J421.700D
• Wikidata: Q82862713
• Mol file: 3971-35-5.mol

Synonyms:3971-35-5;Benzoic acid, 4,4'-sulfonylbis-, dibutyl ester;Benzoic acid, 4,4'-sulfonylbis-, 1,1'-dibutyl ester;NSC 404346;NSC-404346;AI3-18008;4,4'-Sulfonylbis(benzoic acid), dibutyl ester;dibutyl 4,4'-sulfonyldibenzoate;4, dibutyl ester;NSC404346;ENZ6J5NTV5;SCHEMBL4926709;C22H26O6S;DTXSID30883924;1,1'-Dibutyl 4,4'-sulfonylbis[benzoate];4,4'-Sulfonylbis(benzoic acid butyl) ester;Benzoic acid,4'-sulfonylbis-, dibutyl ester;4,4-Sulfonylbis(benzoic acid), dibutyl ester

Chemical Property of Benzoic acid, 4,4'-sulfonylbis-, dibutyl ester

Chemical Property:

• Boiling Point: 561.3°Cat760mmHg
• Flash Point: 293.3°C
• PSA: 95.12000
• Density: 1.186g/cm³
• LogP: 5.51400
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 418.14500972
• Heavy Atom Count: 29
• Complexity: 560

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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