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| CAS No.: | 540-82-9 |
|---|---|
| Name: | ethyl hydrogen sulphate |
| Article Data: | 71 |
| Molecular Structure: | |
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|
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| Formula: | C2H6O4S |
| Molecular Weight: | 126.133 |
| Synonyms: | Sulfuric acid hydrogen ethyl ester;Sulfovinic acid;Sulfethylic acid; |
| EINECS: | 208-758-6 |
| Density: | 1.458 g/cm3 |
| Melting Point: | -32°C (estimate) |
| Boiling Point: | 280°C |
| Appearance: | colorless oily liquids |
| Transport Information: | UN 2571 |
| PSA: | 71.98000 |
| LogP: | 0.90650 |
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- 91631-54-8
N-sulfonoxy-p-chloroacetanilide pyridinium salt
A
- 540-82-9
ethyl sulfate
B
- 1503-91-9
N-(4-chlorophenyl)-N-hydroxyacetamide
| Conditions | Yield |
|---|---|
| In ethanol at 40℃; | A 83% B n/a |
| In ethanol at 40℃; | A n/a B 83% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide at 150 - 200℃; | |
| With ethanol; sodium ethanolate | |
| With sodium ethanolate; toluene |
| Conditions | Yield |
|---|---|
| With sulfuric acid |
| Conditions | Yield |
|---|---|
| With chlorosulfonic acid |
| Conditions | Yield |
|---|---|
| With sulphur monochloride | |
| With chlorosulfonic acid | |
| With sulfuric acid |
| Conditions | Yield |
|---|---|
| With sulfuric acid |
| Conditions | Yield |
|---|---|
| With sulfuric acid | |
| With sulfuric acid; silver | |
| With silver salt; sulfuric acid |
| Conditions | Yield |
|---|---|
| With silver hydrogensulfate |
| Conditions | Yield |
|---|---|
| With 3-chloro-benzenecarboperoxoic acid In ethanol at -60 - 20℃; |
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Specification
The Ethyl hydrogen sulfate, with the CAS registry number of 540-82-9, is also known as Sulfethylic acid. It belongs to the product category of Pharmaceutical Intermediates. Its EINECS registry number is 208-758-6. This chemical's molecular formula is C2H6O4S and molecular weight is 126.13164. What's more, its IUPAC name is Ethyl hydrogen sulfate. Additionally, it's incompatible with strong oxidizing agents or metals.
Physical properties about Ethyl hydrogen sulfate are: (1)ACD/LogP: 0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.42; (4)ACD/LogD (pH 7.4): -3.42; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 60.98 Å2; (13)Index of Refraction: 1.453; (14)Molar Refractivity: 23.39 cm3; (15)Molar Volume: 86.4 cm3; (16)Polarizability: 9.27×10-24 cm3; (17)Surface Tension: 51.2 dyne/cm; (18)Density: 1.458 g/cm3.
Preparation of Ethyl hydrogen sulfate: it can be obtained by N-Sulfonoxy-p-chloroacetanilide pyridinium salt. The reaction needs solvent Ethanol at temperature of 40 ℃. The yield is 83%.
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When you are using this chemical, please be cautious about it as the following: this chemical is soluble in water and weigh more than water. Besides, heat may be generated by dissolution into water. If this chemical is reacted with water or moist air, toxic, corrosive or flammable gases will be released. What's more, contact with molten substance may cause severe burns to skin and eyes.
You can still convert the following data into molecular structure:
(1) SMILES: O=S(=O)(O)OCC
(2) InChI: InChI=1/C2H6O4S/c1-2-6-7(3,4)5/h2H2,1H3,(H,3,4,5)
(3) InChIKey: KIWBPDUYBMNFTB-UHFFFAOYAR