Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)[O-])cc1.c1cc[nH+]cc1- InChIKey
ZDYVRSLAEXCVBX-UHFFFAOYSA-N- Molecular formula
- C7H8O3S.C5H5N
- Average molar mass
- 251.3 g/mol
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 4-methyl-, compd. with pyridine (1:1)
- IUPAC
- 4-methylbenzenesulfonate;pyridin-1-ium
Names & synonyms
Pyridinium p-toluenesulfonatePyridine ptoluenesulfonateRefChem:118015Pyridinium toluene4sulphonateDTXCID3036995Pyridine, 4methylbenzenesulfonatepToluenesulfonic acid pyridine saltpToluenesulfonic acid, pyridine adductBenzenesulfonic acid, 4methyl, compd. with pyridine (1:1)24057-28-1DTXSID5066952EINECS 246-002-7
Show more names
Pyridine, 4-methylbenzenesulfonatePyridin-1-ium 4-methylbenzenesulfonatePPTSPyridinium 4-toluenesulfonatePyridinium toluene-4-sulphonatepyridinium tosylatep-Toluenesulfonic acid pyridine saltpyridinium p-toluene sulphonate
Database identifiers
- CAS
24057-28-1- PubChem CID
- 466102
- EC Number
- 246-002-7
Properties
Computed structural properties
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 224
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Pyridines
Physical DescriptionWhite crystalline solid; [Sigma-Aldrich MSDS]
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 1.1% (1 of 95) of reports.
Warning
H315 (62.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 95 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Pyridine, 4-methylbenzenesulfonate
Status: Active Update: 16-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/26654
Benzenesulfonic acid, 4-methyl-, compd. with pyridine (1:1): Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See p-Toluenesulfonic acid. See Pyridine.
Hazard Classes and CategoriesSkin Irrit. 2 (62.1%)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 4-methyl-, compd. with pyridine (1:1): ACTIVE
Related reactions
1,613 records
Linked notes
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