3-(1-Pyridinio)-1-propanesulfonate
Basic information
- CAS
15471-17-7- Standard SMILES
O=S(=O)([O-])CCC[n+]1ccccc1- InChIKey
REEBJQTUIJTGAL-UHFFFAOYSA-N- Molecular formula
- C8H11NO3S
- Average molar mass
- 201.25 g/mol
- Monoisotopic mass
- 201.04596439
Overview
structure in first source
Names & identifiers
- Preferred name
- 3-(1-Pyridinio)-1-propanesulfonate
- IUPAC
- 3-pyridin-1-ium-1-ylpropane-1-sulfonate
- English name
- 3-(1-Pyridinio)-1-propanesulfonate
- Molecular formula
- C8H11NO3S
- Molecular weight
- 201.24
Names & synonyms
15471-17-73-(1-Pyridinio)-1-propanesulfonate1-Pyridiniumpropane-3-sulfonate1-(3-Sulphonatopropyl)pyridinium1-(3-Sulfopropyl)pyridinium hydroxide, inner saltPyridinium, 1-(3-sulfopropyl)-, inner saltQN4I6AI9EKNDBS cpdRefChem:436504239-491-33-(Pyridin-1-ium-1-yl)propane-1-sulfonateNDSB-201
Show more names
Pyridinium propyl sulfobetaineMDCCAIDEinecs 239-491-31-(3-sulfopropyl)pyridinePOWDEROFCHONDROITINSULFATEPyridiniumpropylsulphobetainePyridinium propylsulphobetain
3-pyridin-1-ium-1-ylpropane-1-sulfonate1-(3-sulfopropyl)pyridinium inner saltMFCD000644683-(1-Pyridino)-1-propane SulfonatePyridinium, 1-(3-sulfopropyl)-, hydroxide, inner salt1-(3-SULFOPROPYL)PYRIDINIUM BETAINE1-(3-Sulfopropyl)pyridinium hydroxide inner salt3-(1-Pyridinio)propanesulfonate
Database identifiers
- CAS
15471-17-7- PubChem CID
- 84929
- DTXSID
DTXSID3044592- UNII
- QN4I6AI9EK
- EC Number
- 239-491-3
- Nikkaji
- J236.249J
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 69.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 213
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Pyridines
Physical Description
Other Solid
White hygroscopic crystals; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 275 · 275-277 °C
- Density
- 1.53 · 1.53[at 20℃]
- vapor pressure
- 0 Pa · 0Pa at 25℃
- Flash point
- 160 °C · 160 °C
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- White powder
- color
- White
- Water Solubility
- 240.5 g/L · 240.5g/L at 25℃
- BRN
- 1621867 · 1621867
- InChI
- InChI=1S/C8H11NO3S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
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 88.1% (37 of 42) of all reports.
Warning
H315 (11.9%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Pyridinium, 1-(3-sulfopropyl)-, hydroxide, inner salt
Pyridinium, 1-(3-sulfopropyl)-, inner salt is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyridinium, 1-(3-sulfopropyl)-, inner salt are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 1-(3-sulphonatopropyl)pyridinium (EC: 239-491-3)
Pyridinium, 1-(3-sulfopropyl)-, inner salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (11.9%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29333990
Chemistry & industry
Uses & manufacturing
Uses
Used to formulate metal surface treatment products (including those for galvanizing and electroplating), non-metal surface treatment products, processing aids (i.e. pH regulators, flocculants, and precipitants), laboratory chemicals, and flux coating/core welding and soldering products; [ExPub: ECHA REACH Registrations]
Welding [Category: Weld]
U.S. Production2023: <50,000 lb
Industry UsesPlating agent
General Manufacturing Information
Paint and Coating Manufacturing
Pyridinium, 1-(3-sulfopropyl)-, inner salt: ACTIVE
Applications
UsesPyridinium propyl sulfobetaine(15471-17-7) can be used: As a Bronsted acid ionic liquid catalyst in combination with H2SO4 and H3PO4 for the dehydration of glycerol to acrolein via semi-batch reaction technique. As a catalyst in the form of sulfonated heteropoly acid salts for the synthesis of isoamyl isovalerate. In the preparation of molybdenum imido alkylidene NHC catalysts, which are used in biphasic olefin metathesis. To prepare water-stable SO3H-functionalized Br?nsted acidic task-specific ionic liquids (TSILs). In was bright nickel plating, it is a start material to make brightener, A high efficiency brightener and leveler. Because of its high purity, Pyridinium propyl sulfobetaine cannot carry other harmful impurity or salts to baths.
Description3-(1-Pyridinio)-1-propanesulfonate is a white crystalline powder used to prepare electroplating additives.It has good thermal qualitative and chemical stability, and its mechanical strength is also very good. The low polymer molecular weight is prone to disproportionation and cross-linking reactions.
Uses3-(1-Pyridinio)-1-propanesulfonate is a non detergent sulfobetaine used as a mild solubilizing and stabilizing agent for halophilic malate dehydrogenase, halophilic elongation factor Tu (hTu), pig heart malate dehydrogenase, chicken egg w hite lysozyme and E. coli beta-galactosidase. Preserves the antigenic conformation of serine protease gp76. Does not interfere with colorimetric assays using p-nitrophenylphosphate and o-nitrophenyl -b-D-galactopyranoside as substrates. Reduces aggregation and significantly improves protein renaturation. Zwitterionic over a wide pH range. Does not absorb significantly in the near-UV range. Ca n be easily removed by dialysis.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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