Basic information
- CAS
21876-47-1- Standard SMILES
C[n+]1cccc(S(=O)(=O)[O-])c1- InChIKey
AVYIOHJNFRTXIT-UHFFFAOYSA-N- Molecular formula
- C6H7NO3S
- Average molar mass
- 173.19 g/mol
- Monoisotopic mass
- 173.01466426
Names & identifiers
- Preferred name
- 1-Methyl-3-sulphonatopyridinium
- IUPAC
- 1-methylpyridin-1-ium-3-sulfonate
- English name
- 1-methyl-3-sulphonatopyridinium
- Molecular formula
- C6H7NO3S
- Molecular weight
- 173.18968
Names & synonyms
1-Methyl-3-sulphonatopyridinium21876-47-11-methylpyridin-1-ium-3-sulfonate1-methylpyridinium-3-sulfonate66G3BP5GFVEINECS 244-626-4NSC-158053DTXSID00176279NSC 1580531-METHYL-3-SULFOPYRIDINIUM BETAINEN-METHYLPYRIDINE-3-SULFONIC ACID BETAINEPYRIDINIUM, 1-METHYL-3-SULFO-, INNER SALT
Show more names
Nsc1580531-METHYLPYRIDINIUM 3-SULFONATE1-Methyl-3-sulfonatopyridinium
1-METHYL-3-SULFOPYRIDINIUM HYDROXIDE, INNER SALTRefChem:76289DTXCID4098770244-626-4UNII-66G3BP5GFVSCHEMBL2185887SCHEMBL29889955AVYIOHJNFRTXIT-UHFFFAOYSA-N
Database identifiers
- CAS
21876-47-1- PubChem CID
- 89079
- DTXSID
DTXSID00176279- UNII
- 66G3BP5GFV
- EC Number
- 244-626-4
- Nikkaji
- J225.466B
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 69.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- FDA UNII
- 66 G3BP5GFV · 66G3BP5GFV
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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