Basic information
- CAS
70191-73-0- Standard SMILES
CCCCCCCCCCCCCCCCc1cccc(Oc2cc(S(=O)(=O)O)ccc2S(=O)(=O)O)c1- InChIKey
XEFZJVIUYRSRFX-UHFFFAOYSA-N- Molecular formula
- C28H42O7S2
- Average molar mass
- 554.8 g/mol
- Monoisotopic mass
- 554.23719602
Names & identifiers
- Preferred name
- Benzenesulfonic acid, hexadecyl(sulfophenoxy)-
- IUPAC
- 2-(3-hexadecylphenoxy)benzene-1,4-disulfonic acid
Names & synonyms
Hexadecyl(sulfophenoxy)benzenesulfonic acidBenzenesulfonic acid, hexadecyl(sulfophenoxy)-RefChem:325595DTXSID60891951
Database identifiers
- CAS
70191-73-0- PubChem CID
- 112374
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 19
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 801
Experimental & physicochemical properties
Physical DescriptionLiquid
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Benzenesulfonic acid, hexadecyl(sulfophenoxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonic acid, hexadecyl(sulfophenoxy)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 550,000 - <1,000,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Benzenesulfonic acid, hexadecyl(sulfophenoxy)-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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