Sodium;pyridine-3-sulfonic acid
Basic information
- CAS
15521-77-4- Standard SMILES
O=S(=O)(O)c1cccnc1.[Na+]- InChIKey
CQSNULMCHIOCCX-UHFFFAOYSA-N- Molecular formula
- C5H5NNaO3S+
- Average molar mass
- 182.16 g/mol
- Monoisotopic mass
- 181.98878348
Names & identifiers
- Preferred name
- Sodium;pyridine-3-sulfonic acid
- IUPAC
- sodium pyridine-3-sulfonic acid
- English name
- Pyridine-3-sulfonic acid sodium salt
- Molecular formula
- C5H6NNaO3S
- Molecular weight
- 183.16
Names & synonyms
NSC-1578sodium;pyridine-3-sulfonic acidNSC1578SODIUM PYRIDINE-3-SULFONATEpyridine-3-sulfonateSODIUM 3-PYRIDINESULFONATESodium 3-pyridinesulphonatesodium pyridine-3-sulphonateSodiumPyridine-3-sulfonate>PyridinesulfonicacidsodiumsaltPyridine-3-sulfonic acid sodium saltSODIUM 3-PYRIDINESULFONATE N-HYDRATE3-PYRIDINE SULFONIC ACID, SODIUM SALT
Database identifiers
- CAS
15521-77-4- PubChem CID
- 20344343
Properties
Computed structural properties
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 1
- Complexity
- 193
Physicochemical properties
- storage temp.
- Inert atmosphere,Room Temperature
- Water Solubility
- Soluble in water
- form
- powder to crystal
- color
- White to Almost white
- InChI
- InChI=1S/C5H5NO3S.Na.H/c7-10(8,9)5-2-1-3-6-4-5;;/h1-4H,(H,7,8,9);;
- InChIKey
- TUWQKUIHYQOVKI-UHFFFAOYSA-N
- SMILES
- S(C1=CN=CC=C1)(O)(=O)=O.[NaH]
- CAS DataBase Reference
- 15521 · 15521-77-4
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HS Code
- 2933.39 · 2933.39.9200
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933.39.9200
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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