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| CAS No.: | 594-45-6 |
|---|---|
| Name: | Ethanesulfonic acid |
| Article Data: | 79 |
| Molecular Structure: | |
|
|
|
| Formula: | C2H6O3S |
| Molecular Weight: | 110.134 |
| Synonyms: | 1-Ethanesulfonicacid;Ethanesulphonic acid; |
| EINECS: | 209-843-0 |
| Density: | 1.375 g/cm3 |
| Melting Point: | -17 °C(lit.) |
| Boiling Point: | 394.9 °C at 760 mmHg |
| Flash Point: | >230 °F |
| Solubility: | soluble |
| Appearance: | Yellow To Brown Liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 2586 8/PG 3 |
| PSA: | 62.75000 |
| LogP: | 0.97490 |
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| Conditions | Yield |
|---|---|
| With dihydrogen peroxide; methyltrioxorhenium(VII) In acetonitrile at 20℃; for 0.0166667h; | 80% |
| With sodium hypochlorite bei der Oxydation; | |
| With bromine | |
| With air; nitric acid; Nitrogen dioxide | |
| Anodische Oxydation; |
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ethylmagnesium iodide
- 594-45-6
ethanesulfonic acid
| Conditions | Yield |
|---|---|
| With diethyl ether; sulfur dioxide Zersetzen des Reaktionsproduktes mit Wasser und Oxydieren der waessr.Loesung mit Brom; |
| Conditions | Yield |
|---|---|
| With ammonium sulfite |
| Conditions | Yield |
|---|---|
| With nitric acid erst in der Kaelte dann in der Waerme; |
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S-nitrosoethanethiol
- 594-45-6
ethanesulfonic acid
| Conditions | Yield |
|---|---|
| With oxygen |
| Conditions | Yield |
|---|---|
| With alkali halide | |
| With alkali thiocyanate | |
| With potassium hydroxide | |
| With tributyl-amine at 150 - 160℃; unter Abdestillieren niedrigsiedender reaktionsprodukte; |
| Conditions | Yield |
|---|---|
| With ammonium hydrogen sulfite; water | |
| With ammonium disulfite | |
| With sulfur dioxide In water in presence of HNO3 or nitrates, nitrites, perchloric acid or perchlorates or K2Cr2O7, below 200°C, alkali hydrogen sulphites also used istead of SO2; | |
| With SO2 In water in presence of HNO3 or nitrates, nitrites, perchloric acid or perchlorates or K2Cr2O7, below 200°C, alkali hydrogen sulphites also used istead of SO2; |
| Conditions | Yield |
|---|---|
| With nitric acid | |
| With sodium hypochlorite | |
| With hydrogenchloride; acetic acid at 15 - 20℃; elektrolytische Oxydation; |
| Conditions | Yield |
|---|---|
| With phosphorus; hydrogen iodide at 170℃; |
| Conditions | Yield |
|---|---|
| With alkali halide | |
| With alkali thiocyanate |
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Specification
The IUPAC name of this chemical is Ethanesulfonic acid. With the CAS registry number 594-45-6 and EINECS registry number 209-843-0, it is also named as Ethanesulphonic acid. In addition, the molecular formula is C2H6O3S and the molecular weight is 110.13. It is a kind of clear yellow to brown liquid and belongs to the classes of Pharmaceutical Intermediates; Organic Building Blocks; Sulfonic/Sulfinic Acids; Sulfur Compounds; Others; Supported Reagents; Supported Synthesis.
Physical properties about this chemical are: (1)ACD/LogP: -1.36; (2)ACD/LogD (pH 5.5): -4.64; (3)ACD/LogD (pH 7.4): -4.86; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 51.75 Å2; (12)Index of Refraction: 1.453; (13)Molar Refractivity: 21.65 cm3; (14)Molar Volume: 80 cm3; (15)Polarizability: 8.58 ×10-24cm3; (16)Surface Tension: 48.7 dyne/cm; (17)Density: 1.375 g/cm3; (18)Boiling Point: 394.9 °C at 760 mmHg; (19)Vapour Pressure: 2.45E-07 mmHg at 25°.
Uses of Ethanesulfonic acid: it can be used as catalysts for alkylation, polymerization and other reaction. And it can react with triethoxymethane to get ethanesulfonic acid ethyl ester. The reaction time is 14 hours with ambient temperature. The yield is about 73%.
When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)CC
(2)InChI: InChI=1/C2H6O3S/c1-2-6(3,4)5/h2H2,1H3,(H,3,4,5)
(3)InChIKey: CCIVGXIOQKPBKL-UHFFFAOYAI