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Ethyl hydrogen sulfate

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Name

Ethyl hydrogen sulfate

EINECS 208-758-6
CAS No. 540-82-9 Density 1.458 g/cm3
PSA 71.98000 LogP 0.90650
Solubility N/A Melting Point -32°C (estimate)
Formula C2H6O4S Boiling Point 280°C
Molecular Weight 126.133 Flash Point N/A
Transport Information UN 2571 Appearance colorless oily liquids
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 540-82-9 (ethyl hydrogen sulphate) Hazard Symbols N/A
Synonyms

Sulfuric acid hydrogen ethyl ester;Sulfovinic acid;Sulfethylic acid;

Article Data 71

Ethyl hydrogen sulfate Synthetic route

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
ConditionsYield
In ethanol at 40℃;A 83%
B n/a
In ethanol at 40℃;A n/a
B 83%
64-67-5

diethyl sulfate

64-17-5

ethanol

A

60-29-7

diethyl ether

B

540-82-9

ethyl sulfate

64-67-5

diethyl sulfate

540-82-9

ethyl sulfate

Conditions
ConditionsYield
With sodium hydroxide at 150 - 200℃;
With ethanol; sodium ethanolate
With sodium ethanolate; toluene
60-29-7

diethyl ether

540-82-9

ethyl sulfate

Conditions
ConditionsYield
With sulfuric acid
64-17-5

ethanol

A

64-67-5

diethyl sulfate

B

540-82-9

ethyl sulfate

Conditions
ConditionsYield
With chlorosulfonic acid
64-17-5

ethanol

540-82-9

ethyl sulfate

Conditions
ConditionsYield
With sulphur monochloride
With chlorosulfonic acid
With sulfuric acid
74-85-1

ethene

A

64-67-5

diethyl sulfate

B

540-82-9

ethyl sulfate

Conditions
ConditionsYield
With sulfuric acid
74-85-1

ethene

540-82-9

ethyl sulfate

Conditions
ConditionsYield
With sulfuric acid
With sulfuric acid; silver
With silver salt; sulfuric acid
75-03-6

ethyl iodide

540-82-9

ethyl sulfate

Conditions
ConditionsYield
With silver hydrogensulfate
2465-65-8

Thiophosphorsaeure-O,O-diethylester

540-82-9

ethyl sulfate

Conditions
ConditionsYield
With 3-chloro-benzenecarboperoxoic acid In ethanol at -60 - 20℃;

Ethyl hydrogen sulfate 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%.

The Ethyl hydrogen sulfate can be obtained by N-sulfonoxy-p-chloroacetanilide Pyridinium Salt

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

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