Ethanesulfonic acid supplier

Name
Ethanesulfonic acid
EINECS 209-843-0
CAS No. 594-45-6
Article Data79
CAS DataBase
Density 1.375 g/cm³
Solubility soluble
Melting Point -17 °C(lit.)
Formula C₂H₆O₃S
Boiling Point 394.9 °C at 760 mmHg
Molecular Weight 110.134
Flash Point >230 °F
Transport Information UN 2586 8/PG 3
Appearance Yellow To Brown Liquid
Safety 26-36/37/39-45
Risk Codes 34
Molecular Structure
Hazard Symbols C
Synonyms 1-Ethanesulfonicacid;Ethanesulphonic acid;
PSA 62.75000
LogP 0.97490

Synthetic route

: 110-81-6
Diethyl disulfide

: 594-45-6
ethanesulfonic acid

Conditions

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;

: 10467-10-4
ethylmagnesium iodide

: 594-45-6
ethanesulfonic acid

Conditions

Conditions	Yield
With diethyl ether; sulfur dioxide Zersetzen des Reaktionsproduktes mit Wasser und Oxydieren der waessr.Loesung mit Brom;

: 64-67-5
diethyl sulfate

: 594-45-6
ethanesulfonic acid

Conditions

Conditions	Yield
With ammonium sulfite

: 352-93-2
diethyl sulphide

: 594-45-6
ethanesulfonic acid

Conditions

Conditions	Yield
With nitric acid erst in der Kaelte dann in der Waerme;

: 26185-93-3
S-nitrosoethanethiol

: 594-45-6
ethanesulfonic acid

Conditions

Conditions	Yield
With oxygen

: 623-81-4
diethyl sulphite

: 594-45-6
ethanesulfonic acid

Conditions

Conditions	Yield
With alkali halide
With alkali thiocyanate
With potassium hydroxide
With tributyl-amine at 150 - 160℃; unter Abdestillieren niedrigsiedender reaktionsprodukte;

: 74-85-1
ethene

: 594-45-6
ethanesulfonic acid

Conditions

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;

: 542-90-5
ethyl isothiocyanate

: 594-45-6
ethanesulfonic acid

Conditions

Conditions	Yield
With nitric acid
With sodium hypochlorite
With hydrogenchloride; acetic acid at 15 - 20℃; elektrolytische Oxydation;

: 1184-84-5
ethenesulfonic acid

: 594-45-6
ethanesulfonic acid

Conditions

Conditions	Yield
With phosphorus; hydrogen iodide at 170℃;

: 1912-30-7
ethyl ethanesulfonate

: 594-45-6
ethanesulfonic acid

Conditions

Conditions	Yield
With alkali halide
With alkali thiocyanate

: 546-74-7
sodium ethyl sulfate

: 594-45-6
ethanesulfonic acid

Conditions

Conditions	Yield
With water; sodium sulfite at 110 - 120℃;
With water; sodium sulfite at 110 - 120℃;

: 623-81-4
diethyl sulphite

: 75-03-6
ethyl iodide

: 594-45-6
ethanesulfonic acid

Conditions

Conditions	Yield
With potassium hydroxide

: 75-03-6
ethyl iodide

: 594-45-6
ethanesulfonic acid

Conditions

Conditions	Yield
With ammonium sulfite; water
With potassium sulfite at 130 - 150℃;
With sodium sulfite at 130 - 150℃;

: 75-08-1
ethanethiol

A: 110-81-6
Diethyl disulfide

B: 594-45-6
ethanesulfonic acid

Conditions

Conditions	Yield
With sodium hypochlorite

: 75-08-1
ethanethiol

: 594-45-6
ethanesulfonic acid

Conditions

Conditions	Yield
With potassium permanganate
With bromine
With nitric acid

: 1-chloro-ethanesulfinic acid

: 594-45-6
ethanesulfonic acid

Conditions

Conditions	Yield
With sodium hydroxide

: 19157-19-8
1,1-bis-ethanesulfonyl-but-1-ene

: 594-45-6
ethanesulfonic acid

Conditions

Conditions	Yield
With ozone In chloroform

: 67-56-1
methanol

: 32317-03-6
Methylthiophosphonsaeure-O-isopropylester-S-ethylester

A: 690-64-2
isopropyl methyl methylphosphonate

B: 594-45-6
ethanesulfonic acid

Conditions

Conditions	Yield
With 3-chloro-benzenecarboperoxoic acid

...Expand

: 1912-30-7
ethyl ethanesulfonate

A: 64-17-5
ethanol

B: 594-45-6
ethanesulfonic acid

Conditions

Conditions	Yield
With water In dimethyl sulfoxide at 37℃; Rate constant; phosphate buffer, pH = 7.4;

: 594-44-5
Ethanesulfonyl chloride

: 594-45-6
ethanesulfonic acid

Conditions

Conditions	Yield
With water at 25℃; Rate constant; 0.1 M KCl;
With potassium chloride at 25℃; Rate constant; in the presence of triethylamine in water or triethylamine, 2-propanol in methylene chloride;

: 57557-80-9
O,S-diethyl phenylphosphonothionate

A: 594-45-6
ethanesulfonic acid

B: 4546-19-4
ethyl hydrogen phenylphosphonate

Conditions

Conditions	Yield
With Oxone In water; acetonitrile at 25 - 50℃; Kinetics; Mechanism; Thermodynamic data; ΔH excit., ΔS excit., solvent deuterium isotope effect;

: 3096-04-6
S-ethyl diphenylphosphorothiolate

A: 598-02-7
Diethyl phosphate

B: 594-45-6
ethanesulfonic acid

Conditions

Conditions	Yield
With Oxone In water; acetonitrile at 25℃; Rate constant; Mechanism; solvent deuterium isotope effect;

: 7697-37-2
nitric acid

: 75-08-1
ethanethiol

: 594-45-6
ethanesulfonic acid

: 75-08-1
ethanethiol

bromine water: bromine water

: 594-45-6
ethanesulfonic acid

: 75-08-1
ethanethiol

sodium hypochlorite: sodium hypochlorite

A: 110-81-6
Diethyl disulfide

B: 594-45-6
ethanesulfonic acid

...Expand

: 110-81-6
Diethyl disulfide

: 56-23-5
tetrachloromethane

bromine water: bromine water

: 594-45-6
ethanesulfonic acid

...Expand

: 110-81-6
Diethyl disulfide

air: air

nitrogen oxide: nitrogen oxide

: 594-45-6
ethanesulfonic acid

...Expand

: 110-81-6
Diethyl disulfide

sodium hypochlorite: sodium hypochlorite

: 594-45-6
ethanesulfonic acid

: 4396-19-4
bis(ethylthio)methane

: 7697-37-2
nitric acid

: 594-45-6
ethanesulfonic acid

: 100-76-5
Quinuclidine

: 594-45-6
ethanesulfonic acid

: 126822-00-2
Chinuclidinium-ethansulfonat

Conditions

Conditions	Yield
In acetonitrile for 1h; Ambient temperature;	100%

: 656247-17-5
nintedanib

: 594-45-6
ethanesulfonic acid

: 656247-18-6
methyl (3Z)-3-[({4-[N-methyl-2-(4-methylpiperazin-1-yl)acetamido]phenyl}amino)(phenyl)methylidene]-2-oxo-2,3-dihydro-1H-indole-6-carboxylate ethanesulfonate salt

Conditions

Conditions	Yield
In methanol for 4h; Reflux;	100%
In methanol; water at 60℃;	97.3%
In methanol; water; isopropyl alcohol at 0 - 65℃; for 1h;	95%

: 110-86-1
pyridine

: 594-45-6
ethanesulfonic acid

: ethanesulfonic acid pyridinium salt

Conditions

Conditions	Yield
Inert atmosphere;	100%

: 594-45-6
ethanesulfonic acid

: 10424-65-4
tetramethylammonium hydroxide pentahydrate

: C2H5O3S(1-)*C4H12N(1+)

Conditions

Conditions	Yield
In methanol Inert atmosphere;	100%

: 594-45-6
ethanesulfonic acid

: 77-98-5
tetraethylammonium hydroxide

: C8H20N(1+)*C2H5O3S(1-)

Conditions

Conditions	Yield
In methanol Inert atmosphere;	100%

: 594-45-6
ethanesulfonic acid

: 4499-86-9
tetrapropylammonium hydroxide

: C2H5O3S(1-)*C12H28N(1+)

Conditions

Conditions	Yield
In methanol Inert atmosphere;	100%

: 594-45-6
ethanesulfonic acid

: tetrapentylammonium hydroxide

: C2H5O3S(1-)*C20H44N(1+)

Conditions

Conditions	Yield
In methanol Inert atmosphere;	100%

: 594-45-6
ethanesulfonic acid

: 17756-56-8
tetrahexylammonium hydroxide

: C2H5O3S(1-)*C24H52N(1+)

Conditions

Conditions	Yield
In methanol Inert atmosphere;	100%

: 594-45-6
ethanesulfonic acid

: 2052-49-5
tetra(n-butyl)ammonium hydroxide

: tetra-n-butylammonium ethanesulfonate

Conditions

Conditions	Yield
In methanol Inert atmosphere;	100%

: 594-45-6
ethanesulfonic acid

: 5324-47-0
sodium ethanesulfonate

Conditions

Conditions	Yield
With sodium hydroxide In methanol Inert atmosphere;	100%

: 594-45-6
ethanesulfonic acid

: 1187594-09-7
Baricitinib

: {1-(ethylsulphonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]azetidin-3-yl}acetonitrile esylate

Conditions

Conditions	Yield
In ethyl acetate at 20 - 22℃; for 2h; Solvent; Temperature;	98.8%

: dodecyl 2-(N,N-dimethylamino)propionate

: 594-45-6
ethanesulfonic acid

: 1614220-86-8
dodecyl 2-(dimethylamino)propanoate ethanesulfonate

Conditions

Conditions	Yield
In ethyl acetate at 0 - 20℃; for 12h;	98.4%

: 594-45-6
ethanesulfonic acid

: (6R)-7-[(3,4-difluorophenyl)methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one

: (R)-7-(3,4-difluorobenzyl)-6-(methoxymethyl)-2-(5-methyl-2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)-6,7-dihydroimidazo[1,2-a]pyrazin-8(5H)-one ethanesulfonic acid

Conditions

Conditions	Yield
In acetonitrile at 5 - 55℃; for 24h; Inert atmosphere;	98%

: 1004-36-0
2,6-dimethylpyrone

: 594-45-6
ethanesulfonic acid

: 1325228-59-8
4-hydroxy-2,6-dimethylpyrylium ethanesulfonate

Conditions

Conditions	Yield
In methanol for 1h; Reflux;	97%

: 594-45-6
ethanesulfonic acid

: 714971-09-2
[4-[[1-(3-fluorophenyl)methyl]-1H-indazol-5-ylamino]-5-methyl-pyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamic acid (3S)-3-morpholinylmethyl ester

: (S)-morpholin-3-ylmethyl-4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)-5-methylpyrolo[1,2-f][1,2,4]triazin-6-ylcarbamate esylate

Conditions

Conditions	Yield
In tetrahydrofuran; methanol; tert-butyl methyl ether at 30 - 40℃; Product distribution / selectivity;	97%

: 594-45-6
ethanesulfonic acid

: 70284-09-2
1-ethanesulfonyl azide

Conditions

Conditions	Yield
Stage #1: ethanesulfonic acid With trichloroisocyanuric acid; triphenylphosphine In tetrahydrofuran at 0 - 5℃; Stage #2: With sodium azide In tetrahydrofuran at 5 - 20℃;	96%
With sodium azide; trichloroacetonitrile; triphenylphosphine In acetonitrile at 20℃; for 2h;	83%
With sodium azide; trichloroisocyanuric acid; triphenylphosphine In tetrahydrofuran at 20℃;

: 594-45-6
ethanesulfonic acid

: 1044642-88-7
tegaserod

: 3-(5-methoxy-1H-indol-3-ylmethylene)-N-pentylcarbazimidamide esylate

Conditions

Conditions	Yield
In acetone at 25 - 50℃; for 20h;	95.6%

: 13520-92-8
ziconium(IV) oxychloride octahydrate

: 594-45-6
ethanesulfonic acid

: zirconium acetate hydroxide

: 7732-18-5
water

: C2H3O2(1-)*Zr(4+)*0.8H2O*0.9O(2-)*0.2C2H5O3S(1-)*HO(1-)

Conditions

Conditions	Yield
In water	95%

...Expand

: 13520-92-8
ziconium(IV) oxychloride octahydrate

: 594-45-6
ethanesulfonic acid

: zirconium acetate hydroxide

: 7732-18-5
water

: C2H3O2(1-)*Zr(4+)*0.5H2O*1.25O(2-)*0.5C2H5O3S(1-)

Conditions

Conditions	Yield
In water	95%

...Expand

: 13520-92-8
ziconium(IV) oxychloride octahydrate

: 594-45-6
ethanesulfonic acid

: zirconium acetate hydroxide

: 7732-18-5
water

: 0.6C2H3O2(1-)*Zr(4+)*2H2O*1.3O(2-)*0.8C2H5O3S(1-)

Conditions

Conditions	Yield
In water	95%

...Expand

: 13520-92-8
ziconium(IV) oxychloride octahydrate

: 594-45-6
ethanesulfonic acid

: zirconium acetate hydroxide

: 7732-18-5
water

: 0.4C2H3O2(1-)*Zr(4+)*2.2H2O*0.9O(2-)*1.8C2H5O3S(1-)

Conditions

Conditions	Yield
In water	95%

...Expand

: 13520-92-8
ziconium(IV) oxychloride octahydrate

: 594-45-6
ethanesulfonic acid

: zirconium acetate hydroxide

: 7732-18-5
water

: Zr(4+)*3H2O*0.6O(2-)*2.8C2H5O3S(1-)

Conditions

Conditions	Yield
In water	95%

...Expand

: 594-45-6
ethanesulfonic acid

: 1206161-97-8
N-(5-{4-[(1,1-dioxo-1λ6-thiomorpholin-4-yl)methyl]phenyl}-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide

: filgotinib diesylate

Conditions

Conditions	Yield
In 1,4-dioxane at 80℃; for 1.66667h; Time;	95%

: 594-45-6
ethanesulfonic acid

: 603-35-0
triphenylphosphine

: 149-73-5
trimethyl orthoformate

: methyltriphenylphosphonium ethanesulfonate

Conditions

Conditions	Yield
at 110℃; for 12h; Sealed tube;	95%

...Expand

: 864740-19-2
(2R,4aR,10bR)-6-(2,6-dimethoxy-pyridin-3-yl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydro-phenanthridin-2-ol

: 594-45-6
ethanesulfonic acid

: 909115-55-5
(2R,4aR,10bR)-6-(2,6-dimethoxy-pyridin-3-yl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydro-phenanthridin-2-ol ethansulfonate

Conditions

Conditions	Yield
In 4-methyl-2-pentanone at 50℃;	94%

: 847453-47-8
(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(5-amino-2-oxothiazolo[4,5-d]pyrimidin-3(2H)-yl)tetrahydrofuran-3,4-diyl diacetate

: 594-45-6
ethanesulfonic acid

: 1106672-27-8
5-amino-3-(2',3'-di-O-acetyl-beta-D-ribofuranosyl)-3H-thiazolo[4,5-d]pyrimidin-2-one esylate

Conditions

Conditions	Yield
In butanone at 0 - 50℃;	93.27%

: 51608-61-8, 13707-44-3
N-(2,2,2-trichloroethyliden)-p-toluenesulfonamide

: 594-45-6
ethanesulfonic acid

: 4-methyl-2-(p-toluenesulfonyl)-3-(trichloromethyl)-1,2-thiazetidine-1,1-dioxide

Conditions

Conditions	Yield
With (methoxymethylidene)dimethylammonium methyl sulfate; triethylamine In tetrahydrofuran at 20℃; for 4h; diastereoselective reaction;	93%

: 594-45-6
ethanesulfonic acid

: 603-35-0
triphenylphosphine

: 149-73-5
trimethyl orthoformate

: C19H18P(1+)*C2H5O4S(1-)

Conditions

Conditions	Yield
at 110℃; for 12h;	93%

...Expand

: 594-45-6
ethanesulfonic acid

: 105889-80-3
((6R,7R)-3-((aminocarbonyl)oxy)methyl-7-((Z)-2-(2-tert-butoxycarbonylaminothiazol-4-yl)-2-pentenoyl)amino)-8-oxo-5-thio-1-azabicyclo[4.2.0]-oct-2-ene-2-carboxylic acid(2,2-dimethyloxypropoxymethyl)ester

: cephalosporin ester ethanesulfonate

Conditions

Conditions	Yield
In methanol at 20℃; for 16h;	92.3%

: 861151-12-4
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5-dihydro-1H-pyrazole-3-carboxamide

: 594-45-6
ethanesulfonic acid

: 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(piperidin-1-yl)-4,5-dihydro-1H-pyrazole-3-carboxamide ethanesulfonate

Conditions

Conditions	Yield
In ethyl acetate at 3 - 70℃; for 24h; Product distribution / selectivity;	92%
In pentanone, 3- at 3 - 95℃; for 24h; Product distribution / selectivity;	92%

Ethanesulfonic acid 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%.

Ethanesulfonic acid can react with triethoxymethane to get ethanesulfonic acid ethyl ester

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

Product Name

Ethanesulfonic acid

Synthetic route

Ethanesulfonic acid Specification

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