Benzenesulfonic acid, 3-(chlorosulfonyl)-, phenyl ester

Base Information

• Chemical Name: Benzenesulfonic acid, 3-(chlorosulfonyl)-, phenyl ester
• CAS No.: 71042-78-9
• Molecular Formula: C12H9ClO5S2
• Molecular Weight: 332.7799
• DSSTox Substance ID: DTXSID4072231
• Nikkaji Number: J446.661F
• Wikidata: Q82000188
• Mol file: 71042-78-9.mol

Synonyms:Phenyl 3-(chlorosulfonyl)benzenesulfonate;71042-78-9;Benzenesulfonic acid, 3-(chlorosulfonyl)-, phenyl ester;C12H9ClO5S2;DTXSID4072231;C12-H9-Cl-O5-S2;3-(Chlorosulfonyl)benzenesulfonic acid phenyl ester

Chemical Property of Benzenesulfonic acid, 3-(chlorosulfonyl)-, phenyl ester

Chemical Property:

• Vapor Pressure: 1.13E-09mmHg at 25°C
• Boiling Point: 500.9°Cat760mmHg
• Flash Point: 256.7°C
• PSA: 94.27000
• Density: 1.514g/cm³
• LogP: 4.54340
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 331.9579934
• Heavy Atom Count: 20
• Complexity: 511

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

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

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