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Sodium 4-Styrenesulfonate
CAS: 2695-37-6 | C8H8NaO3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2695-37-6
Molecular Formula:
C8H8NaO3S
Molecular Mass:
207.21 g/mol
Names and Synonyms:
Sodium 4-Styrenesulfonate
Benzenesulfonic acid, 4-ethenyl-, sodium salt (1:1)
Benzenesulfonic acid, p-vinyl-, sodium salt
Benzenesulfonic acid, 4-ethenyl-, sodium salt
Sodium p-styrenesulfonate
Sodium 4-vinylbenzenesulfonate
Sodium 4-styrenesulfonate
Spinomar NaSS
Styrene-4-sulfonic acid sodium salt
Sodium p-vinylbenzenesulfonate
UNASS
p-Vinylphenylsulfonic acid sodium salt
MS 88
p-Vinylbenzene sulfonic sodium salt
p-Styrenesulfonic acid sodium salt
Sodium (4-vinylphenyl)sulfonate
Identifiers:
SMILES:
C=Cc1ccc(S(=O)(=O)O)cc1.[Na]
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);
Key Properties
Melting Point
300 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 207.21 g/mol | CAS Common Chemistry |
| 207.20600000000002 g/mol | RDKit | |
| 207.009184396 g/mol | RDKit | |
| Canonical SMILES | [Na].O=S(=O)(O)C1=CC=C(C=C)C=C1 | CAS Common Chemistry |
| 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); | CAS Common Chemistry |
| InChI Key | InChIKey=OMSKWMHSUQZBRS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 300 °C | CAS Common Chemistry |
| Name | Sodium 4-styrenesulfonate | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 54.370000000000005 Ų | RDKit |
| LogP | 1.1955 | RDKit |
| Molar Refractivity | 52.10160000000002 | RDKit |
