4-Styrenesulfonic acid sodium salt hydrate

CAS

123333-94-8

Catalog Number

ACM123333948-1

Category

Main Products

Molecular Weight

224.21g/mol

Molecular Formula

C₈H₇NaO₃S.xH₂O

MSDS COA Spec Sheet

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Specification

Synonyms

Sodium p-Styrenesulfonate Hydrate,p-Styrenesulfonic Acid Sodium Salt Hydrate,Styrene-4-sulfonic acid sodium salt hydrate

IUPAC Name

sodium;4-ethenylbenzenesulfonate;hydrate

Canonical SMILES

C=CC1=CC=C(C=C1)S(=O)(=O)[O-].O.[Na+]

InChI

InChI=1S/C8H8O3S.Na.H₂O/c1-2-7-3-5-8(6-4-7)12(9,10)11;;/h2-6H,1H2,(H,9,10,11);;1H2/q;+1;/p-1

InChI Key

AATHLPHPRXGBAI-UHFFFAOYSA-M

Appearance

light yellow powder

Complexity

247

Covalently-Bonded Unit Count

EC Number

220-266-3

Exact Mass

224.01200

Formal Charge

Hazard Statements

Xn: Harmful;

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

224.011924g/mol

Rotatable Bond Count

Safety Description

S26

Preparation of Acrylamide/4-Styrenesulfonic Acid Sodium Salt Copolymer-Based Hydrogels and Their Dye Adsorption

Kundakcı, Semiha, et al. Polymer bulletin, 2014, 71, 351-370.

4-styrenesulfonic acid sodium salt (SSS) was used as a water absorbent to prepare semi-IPN hydrogels with acrylamide (AAm), gelatin (GEL) and/or polyethylene glycol (PEG), which can be used to adsorb cationic dyes (methyl violet, MV). The obtained AAm/SSS, AAm/GEL/SSS, AAm/PEG/SSS and AAm/GEL/PEG/SSS hydrogel systems showed high water absorption.
Preparation of AAm/SSS-based hydrogel systems
· When preparing the AAm/SSS hydrogel system, 1.0 g (14.07 mmol) of AAm was dissolved in 1.0 mL of water. Then, specific concentrations (0-80 mg/0-0.388 mmol) of SSS were added to each AAm solution, and then 0.25 mL/0.004 mmol of poly(ethylene glycol)diacrylate (PEGDA), 0.2 mL/0.0438 mmol of ammonium persulfate (APS) aqueous solution, and 0.25 mL/0.0167 mmol of 1% N,N,N',N'-tetramethylethylenediamine (TEMED) were added to these solutions.
· For AAm/SSS/PEG semi-IPNs, 0.25 g of PEG was added to a monomer aqueous solution of 1.0 g of AAm, 10-80 mg of SSS, and 1.0 mL of water using the same method as above. To prepare AAm/GEL hydrogels, a mixture of 0.5 mL 10% GEL aqueous solution and 0.5 mL water was used.
· In order to prepare highly swollen AAm/GEL/SSS/PEG or AAm/SSS/PEG/GEL semi-IPNs containing different PEG or GEL contents, the amount of PEG or GEL added was adjusted accordingly.

Copolymerization of Sodium p-Styrenesulfonate and Styrene

Prokhorova, E. V., et al. Polymer Science Series B, 2014, 56, 21-24.

The copolymerization of sodium p-styrenesulfonate (SSS) and styrene in different polar solvents, including DMFA, mixtures of 1,4-dioxane (DO) and DMF, DMSO and DMSO-water mixtures was studied. The results show that the content of styrene units in the copolymer increases significantly with increasing solvent polarity(DO-DMF < DMF < DMSO < DMSO-water). The data obtained allowed the formulation of synthesis conditions for styrene-SSS copolymers with predictable compositions.
Copolymerization process
· Copolymerization was conducted at 70°C using AIBN as an initiator for 30 minutes in sealed ampoules that had been purged with nitrogen. The yield of the copolymers was limited to 9%.
· Precipitation of the copolymers from solutions in the DO-DMFA mixture and DMF was carried out using diethyl ether for copolymers with a high styrene content and acetone for all other copolymers.
· Copolymers with a high styrene content obtained in DMSO were initially precipitated with diethyl ether and then reprecipitated from DMF into isopropanol. Other copolymers obtained in DMSO were precipitated into acetone.
· Copolymers obtained in the DMSO-water mixture were precipitated into isopropanol while heating.
· All copolymers were filtered, air-dried at 60°C, purified through dialysis to remove low molecular weight compounds, and then dried under vacuum at 60°C.

What is the molecular formula of 4-Styrenesulfonic acid, sodium salt hydrate?

The molecular formula is C8H9NaO4S.

What is the molecular weight of 4-Styrenesulfonic acid, sodium salt hydrate?

The molecular weight is 224.21 g/mol.

What is the IUPAC name of 4-Styrenesulfonic acid, sodium salt hydrate?

The IUPAC name is sodium;4-ethenylbenzenesulfonate;hydrate.

What is the InChI of 4-Styrenesulfonic acid, sodium salt hydrate?

The InChI is InChI=1S/C8H8O3S.Na.H2O/c1-2-7-3-5-8(6-4-7)12(9,10)11;;/h2-6H,1H2,(H,9,10,11);;1H2/q;+1;/p-1.

What is the InChIKey of 4-Styrenesulfonic acid, sodium salt hydrate?

The InChIKey is AATHLPHPRXGBAI-UHFFFAOYSA-M.

What is the canonical SMILES of 4-Styrenesulfonic acid, sodium salt hydrate?

The canonical SMILES is C=CC1=CC=C(C=C1)S(=O)(=O)[O-].O.[Na+].