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Sodium p-styrenesulfonate

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Name

Sodium p-styrenesulfonate

EINECS 220-266-3
CAS No. 2695-37-6 Density 1.043g/mLat 25°C
PSA 65.58000 LogP 2.31450
Solubility Soluble in water. Melting Point 151-154°C
Formula C8H7NaO3S Boiling Point 151-154 °C
Molecular Weight 206.198 Flash Point 78°F
Transport Information N/A Appearance white to light beige powder
Safety 26-36/37/39 Risk Codes 22-36/37/38-41
Molecular Structure Molecular Structure of 2695-37-6 (Sodium p-styrenesulfonate) Hazard Symbols IrritantXi,HarmfulXn
Synonyms

Benzenesulfonic acid,4-ethenyl-, sodium salt (1:1);Benzenesulfonicacid, 4-ethenyl-, sodium salt (9CI);Benzenesulfonic acid, p-vinyl-, sodiumsalt (8CI);Sodium 4-styrenesulfonate;Sodium 4-vinylbenzenesulfonate;Sodium p-vinylbenzenesulfonate;Styrene-4-sulfonic acid sodium salt;UNASS;p-Vinylphenylsulfonic acid sodiumsalt;Sodium p-styrenesulfonate;

Article Data 1

Sodium p-styrenesulfonate Synthetic route

54322-31-5

p-β-bromoethylbenzenesulfonic acid

2695-37-6

sodium 4-styrenesulfonate

Conditions
ConditionsYield
With sodium hydroxide; sodium nitrite In water at 90℃; for 4h; Autoclave; Large scale;
54322-31-5

p-β-bromoethylbenzenesulfonic acid

A

sodium m-styrenesulfonate

B

2695-37-6

sodium 4-styrenesulfonate

Conditions
ConditionsYield
With sodium hydroxide; sodium nitrite In water at 105℃; for 1h; Inert atmosphere; Autoclave;
2695-37-6

sodium 4-styrenesulfonate

2633-67-2

4-vinylbenzenesulfonyl chloride

Conditions
ConditionsYield
With thionyl chloride; 2,6-di-tert-butyl-4-methyl-phenol In N,N-dimethyl-formamide for 27h; Cooling;100%
With thionyl chloride In N,N-dimethyl-formamide for 27h;95%
With thionyl chloride In N,N-dimethyl-formamide; acetonitrile at 70℃; for 3h; Inert atmosphere; Cooling with ice;82%
2695-37-6

sodium 4-styrenesulfonate

23616-79-7

benzyltri(n-butyl)ammonium chloride

732306-18-2

4-vinylbenzenesulfonic acid benzyltributylammonium salt

Conditions
ConditionsYield
In water at 20℃; for 0.0833333h;100%
In dichloromethane; water at 20℃; for 0.5h;99%
In dichloromethane; water85%

1-vinyl-3-hexyl-1H-imidazol-3-ium bromide

2695-37-6

sodium 4-styrenesulfonate

1453193-88-8

C11H19N2(1+)*C8H7O3S(1-)

Conditions
ConditionsYield
In water at 20℃;98%
2695-37-6

sodium 4-styrenesulfonate

1100-88-5

benzyltriphenylphosphonium chloride

C8H7O3S(1-)*C25H22P(1+)

Conditions
ConditionsYield
In dichloromethane; water98%
2695-37-6

sodium 4-styrenesulfonate

stearyl dimethyl ammonium chloride

155676-49-6

N,N-dimethyl-n-octadecylammonium p-styrenesulfonate

Conditions
ConditionsYield
In chloroform; water for 0.5h;97.5%
2695-37-6

sodium 4-styrenesulfonate

69221-14-3, 69257-04-1, 95189-65-4

(8S,9R)-(-)-N-benzylcinchonidinium chloride

1092983-02-2

N-9-benzylcinchonidinium p-styrenesulfonate

Conditions
ConditionsYield
In dichloromethane; water97%
2695-37-6

sodium 4-styrenesulfonate

2304-30-5

tetra-n-butylphosphonium chloride

1354745-59-7

tetrabutylphosphonium p-styrenesulfonate

Conditions
ConditionsYield
In water at 20℃; for 48h;97%
In water at 20℃; for 24h;
2695-37-6

sodium 4-styrenesulfonate

3700-67-2

dimethyldioctadecylammonium bromide

134291-78-4

dioctadecyldimethylammonium p-styrenesulfonate

Conditions
ConditionsYield
In water at 70℃;95%

Sodium p-styrenesulfonate Specification

The Sodium p-styrenesulfonate, with the CAS registry number 2695-37-6, is also known as Styrene-4-sulfonic acid sodium salt. It belongs to the product category of Aromatic Esters. Its EINECS number is 220-266-3. This chemical's molecular formula is C8H7NaO3S and molecular weight is 206.19. What's more, its systematic name is Sodium 4-vinylbenzenesulfonate. This chemical should be sealed and stored in a cool and dry place. It is used as dyeing modifier, reactive emulsifier and electroplating luster agent.

Physical properties of Sodium p-styrenesulfonate are: (1)ACD/LogP: 0.951; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.55; (4)ACD/LogD (pH 7.4): -2.55; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 62.75 Å2.

Uses of Sodium p-styrenesulfonate: it can be used to produce p-styrenesulfonyl chloride. It will need reagent SOCl2 and solvent dimethylformamide with the reaction time of 27 hours. The yield is about 95%.

Sodium p-styrenesulfonate can be used to produce p-styrenesulfonyl chloride

When you are using this chemical, please be cautious about it as the following:
This chemicalis irritating to eyes, respiratory system and skin. It is harmful if swallowed. It has a risk of serious damage to eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].O=S([O-])(=O)c1ccc(\C=C)cc1
(2)Std. InChI: InChI=1S/C8H8O3S.Na/c1-2-7-3-5-8(6-4-7)12(9,10)11;/h2-6H,1H2,(H,9,10,11);/q;+1/p-1
(3)Std. InChIKey: XFTALRAZSCGSKN-UHFFFAOYSA-M 

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