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| CAS No.: | 5399-63-3 |
|---|---|
| Name: | 4-SULFOBENZOIC ACID MONOPOTASSIUM SALT |
| Article Data: | 3 |
| Molecular Structure: | |
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|
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| Formula: | C7H5KO5S |
| Molecular Weight: | 240.278 |
| Synonyms: | Monopotassium p-sulfobenzoate;potassium p-carboxybenzenesulfonate;P-SULFOBENZOIC ACID POTASSIUM SALT;POTASSIUM P-SULFOBENZOIC ACID;Monopotassium 4-sulfobenzoate;p-carboxybenzenesulfonic acid potassium salt;4-Sulfobenzoic acid potassium salt;Potassium 4-carboxybenzenesulfonate;Potassium 4-sulfobenzoate;4-Sulfobenzoic acid monopotassium salt;4-carboxybenzenesulfonic acid monopotassium salt;4-Sulfobenzoic acid,pottasium salt;4-sulfo-benzoicacimonopotassiumsalt; |
| EINECS: | 226-435-8 |
| Density: | 1.62g/cm3 |
| Appearance: | White fine crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 102.88000 |
| LogP: | 1.36970 |
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Specification
The Benzoic acid, 4-sulfo-,potassium salt is an organic compound with the formula C7H5KO5S. The IUPAC name of this chemical is Potassium 4-sulfobenzoate. With the CAS registry number 5399-63-3, it is also named as 4-Sulfobenzoic acid potassium salt. The categories of the product are Organic Building Blocks; Sulfonic/Sulfinic Acid Salts; Sulfur Compounds. Besides, it should be stored in a cool, sealed, dry and lightproof place. And it is white fine crystalline powder.
The physical properties of Benzoic acid, 4-sulfo-,potassium salt are: (1)#H bond acceptors: 5; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 105.71 Å2.
Uses of Benzoic acid, 4-sulfo-,potassium salt: it can be used to produce p-Carboxy-benzolsulfonazid. It will need reagents chlorosulfonic acid and sodium azide and solvents acetone and H2O. The yield is about 52%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: [K+].O=S([O-])(=O)c1ccc(cc1)C([O-])=O
(2)Std. InChI: InChI=1S/C7H6O5S.K/c8-7(9)5-1-3-6(4-2-5)13(10,11)12;/h1-4H,(H,8,9)(H,10,11,12);/q;+1/p-2
(3)Std. InChIKey: PXRJBUPXKDXDLG-UHFFFAOYSA-L