Basic information
- CAS
79817-52-0- Standard SMILES
Cc1ccc(OCCCS(=O)(=O)[O-])c([N+](=O)[O-])c1.[Na+]- InChIKey
NYUMEYVVSINMIU-UHFFFAOYSA-M- Molecular formula
- C10H12NNaO6S
- Average molar mass
- 297.26 g/mol
- Monoisotopic mass
- 297.02830256
Names & identifiers
- Preferred name
- Sodium 3-(4-methyl-2-nitrophenoxy)propanesulphonate
- IUPAC
- sodium 3-(4-methyl-2-nitrophenoxy)propane-1-sulfonate
Names & synonyms
Sodium 3-(4-methyl-2-nitrophenoxy)propanesulphonateEINECS 279-282-41-Propanesulfonic acid, 3-(4-methyl-2-nitrophenoxy)-, sodium salt (1:1)RefChem:886979279-282-479817-52-0SODIUM 3-(4-METHYL-2-NITROPHENOXY)PROPANESULFONATE7PN88VV34WNS000905151-Propanesulfonic acid, 3-(4-methyl-2-nitrophenoxy)-, sodium salt
Database identifiers
- CAS
79817-52-0- PubChem CID
- 3018873
- UNII
- 7PN88VV34W
- EC Number
- 279-282-4
Properties
Computed structural properties
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 357
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 Classification
This chemical does not meet GHS hazard criteria for 100% (6 of 6) of all reports.
Not Classified
Aggregated GHS information provided per 6 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: Sodium 3-(4-methyl-2-nitrophenoxy)propanesulphonate (EC: 279-282-4)
Hazard Classes and CategoriesNot Classified
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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