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25704-18-1 molecular structure
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sodium 4-ethenylbenzene-1-sulfonate

ChemBase ID: 151776
Molecular Formular: C8H7NaO3S
Molecular Mass: 206.19415
Monoisotopic Mass: 206.00135937
SMILES and InChIs

SMILES:
C=Cc1ccc(cc1)S(=O)(=O)[O-].[Na+]
Canonical SMILES:
C=Cc1ccc(cc1)S(=O)(=O)[O-].[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);/q;+1/p-1
InChIKey:
XFTALRAZSCGSKN-UHFFFAOYSA-M

Cite this record

CBID:151776 http://www.chembase.cn/molecule-151776.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium 4-ethenylbenzene-1-sulfonate
IUPAC Traditional name
sodium 4-ethenylbenzenesulfonate
Synonyms
Sodium 4-vinylbenzenesulfonate hydrate
4-Vinylbenzenesulfonic acid sodium salt hydrate
Styrene-4-sulfonic acid sodium salt hydrate
4-Vinylbenzenesulfonic acid sodium salt
Styrene-4-sulfonic acid sodium salt
Sodium 4-vinylbenzenesulfonate
Poly(styrene sulfonic acid) sodium salt, M.W. 70,000
Sodium styrene-4-sulfonate
Styrene-4-sulfonic acid sodium salt
4-乙烯基苯磺酸钠盐水合物
4-乙烯基苯磺酸 钠盐
苯乙烯-4-磺酸 钠盐
对苯乙烯磺酸钠
聚(苯乙烯磺酸)钠盐, M.W. 70,000
4-苯乙烯磺酸钠盐
CAS Number
25704-18-1
2695-37-6
EC Number
220-266-3
MDL Number
MFCD03092905
MFCD00084449
MFCD00013379
Beilstein Number
3575931
PubChem SID
24889957
162245923
PubChem CID
3571582

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3571582 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -2.1261108  H Acceptors
H Donor LogD (pH = 5.5) -0.48554176 
LogD (pH = 7.4) -0.48554417  Log P 1.8908546 
Molar Refractivity 45.2451 cm3 Polarizability 18.341585 Å3
Polar Surface Area 57.2 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Powder expand Show data source
Melting Point
>320°C expand Show data source
≥300 °C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-37/38-41 expand Show data source
36/37/38 expand Show data source
Safety Statements
26 expand Show data source
26-36/37/39 expand Show data source
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H315-H318-H335 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥90% (T) expand Show data source
tech. 90% expand Show data source
Grade
technical expand Show data source
Empirical Formula (Hill Notation)
C8H7NaO3S expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 94904 external link
Packaging
100, 500 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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