Basic information
- CAS
97925-92-3- Standard SMILES
Nc1ccccc1.O=S(=O)(O)c1ccccc1.O=[N+]([O-])c1ccccc1- InChIKey
HJNZLDQROKPOQN-UHFFFAOYSA-N- Molecular formula
- C18H18N2O5S
- Average molar mass
- 374.4 g/mol
- Monoisotopic mass
- 374.09364285
Names & identifiers
- Preferred name
- Benzenesulfonic acid, mono-C10-14-alkyl derivs., compds. with neutralized aniline-nitrobenzene reaction products
- IUPAC
- aniline;benzenesulfonic acid;nitrobenzene
Names & synonyms
EINECS 308-204-4RefChem:118075DTXSID701012748308-204-4HJNZLDQROKPOQN-UHFFFAOYSA-N
Database identifiers
- CAS
97925-92-3- PubChem CID
- 175776
- EC Number
- 308-204-4
Properties
Computed structural properties
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 332
Experimental & physicochemical properties
UVCBUVCB -> EPA TSCA
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, mono-C10-14-alkyl derivs., compds. with neutralized aniline-nitrobenzene reaction products: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, mono-C10-14-alkyl derivs., compds. with neutralized aniline-nitrobenzene reaction products: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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