Sodium 4-nitrotoluene-2-sulphonate
Basic information
- CAS
5258-64-0- Standard SMILES
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[O-].[Na+]- InChIKey
DAKNGKGXAIKYKW-UHFFFAOYSA-M- Molecular formula
- C7H6NNaO5S
- Average molar mass
- 239.18 g/mol
- Monoisotopic mass
- 238.98643775
Names & identifiers
- Preferred name
- Sodium 4-nitrotoluene-2-sulphonate
- IUPAC
- sodium 2-methyl-5-nitrobenzenesulfonate
- English name
- sodium 4-nitrotoluene-2-sulphonate
- Molecular formula
- C7H6NNaO5S
- Molecular weight
- 239.18101
Names & synonyms
5258-64-0Sodium 4-nitrotoluene-2-sulphonateDTXSID4063743RefChem:380685DTXCID6041214226-062-0sodium 2-methyl-5-nitrobenzenesulfonateBenzenesulfonic acid, 2-methyl-5-nitro-, sodium saltBenzenesulfonic acid, 2-methyl-5-nitro-, sodium salt (1:1)EINECS 226-062-0SODIUM 4-NITROTOLUENE-2-SULFONATEMAZ3CV4QXW
Show more names
sodium,2-methyl-5-nitrobenzenesulfonate4-Nitrotoluene-2-sulfonic acid sodium salt2-Methyl-5-nitrobenzenesulfonic acid sodium salt
SCHEMBL9477910Sodium 2-methyl-5-nitrobenzene-1-sulfonateNS00081165
Database identifiers
- CAS
5258-64-0- PubChem CID
- 21329
- DTXSID
DTXSID4063743- UNII
- MAZ3CV4QXW
- EC Number
- 226-062-0
Properties
Computed structural properties
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- EPA Substance Registry System
- 2 · Benzenesulfonic acid, 2-methyl-5-nitro-, sodium salt (5258-64-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Regulatory InformationChemical: Benzenesulfonic acid, 2-methyl-5-nitro-, sodium salt
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 2-methyl-5-nitro-, sodium salt (1:1): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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