Sodium 3-chloro-2-hydroxypropanesulfonate supplier

Name
3-CHLORO-2-HYDROXYPROPANESULFONIC ACID SODIUM SALT
EINECS 204-807-0
CAS No. 126-83-0
Article Data25
CAS DataBase
Density 1.649 g/cm3
Solubility 405g/L at 20℃
Melting Point
Formula C₃H₇ClO₄S^.Na
Boiling Point
Molecular Weight 196.587
Flash Point
Transport Information
Appearance white crystalline powder
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms 1-Propanesulfonicacid, 3-chloro-2-hydroxy-, monosodium salt (8CI,9CI);1-Chloro-2-hydroxypropane-3-sulfonicacid sodium salt;3-Chloro-2-hydroxy-1-propanesulfonic acid sodium salt;3-Chloro-2-hydroxypropanesulfonate sodium salt;NSC 52602;NSC 53150;Sodium1-chloro-2-hydroxypropane-3-sulfonate;Sodium2-hydroxy-3-chloropropanesulfonate;Sodium3-chloro-2-hydroxy-1-propanesulfonate;Sodium3-chloro-2-hydroxypropane-1-sulfonic acid;Sodium 3-chloro-2-hydroxypropylsulfonate;Sodium epichlorohydrinsulfonate;
PSA 85.81000
LogP 0.21210

Synthetic route

: 106-89-8
epichlorohydrin

: 126-83-0
sodium 3-chloro-2-hydroxypropane-sulfonate

Conditions

Conditions	Yield
With sodium hydrogensulfite In water at 85℃;	80.6%
With sodium hydrogensulfite In water
With sodium hydrogen sulfate In water

: sodium metabisulfite

: 106-89-8
epichlorohydrin

: 126-83-0
sodium 3-chloro-2-hydroxypropane-sulfonate

Conditions

Conditions	Yield
In sodium hydroxide; water	50%
In sodium hydroxide; water	50%

: 96-23-1
1,3-Dichloro-2-propanol

Na2SO3: Na2SO3

: 126-83-0
sodium 3-chloro-2-hydroxypropane-sulfonate

Conditions

Conditions	Yield
With water

: 106-89-8
epichlorohydrin

NaHSO3: NaHSO3

: 126-83-0
sodium 3-chloro-2-hydroxypropane-sulfonate

Conditions

Conditions	Yield
With water at 15℃;
beim Erhitzen auf dem Wasserbad;

: sodium hydrogensulfite

: 106-89-8
epichlorohydrin

: 7757-83-7
sodium sulfite

: 126-83-0
sodium 3-chloro-2-hydroxypropane-sulfonate

Conditions

Conditions	Yield
In water	424.0 g (82%)

...Expand

: sodium hydrogensulfite

: 106-89-8
epichlorohydrin

: 126-83-0
sodium 3-chloro-2-hydroxypropane-sulfonate

Conditions

Conditions	Yield
In not given 100°C;
In not given 100°C;

: 66794-22-7
epoxychloropropane

: 126-83-0
sodium 3-chloro-2-hydroxypropane-sulfonate

Conditions

Conditions	Yield
With sodium sulfate under 1034.32 Torr; Inert atmosphere; Heating;

: 126-83-0
sodium 3-chloro-2-hydroxypropane-sulfonate

: 124-40-3
dimethyl amine

: 3-(dimethylamino)-2-hydroxy-1-propanesulfonic acid sodium salt

Conditions

Conditions	Yield
In water at 2.8 - 20℃;	100%

: 126-83-0
sodium 3-chloro-2-hydroxypropane-sulfonate

: 149968-48-9
N-erucamidopropyl-N,N-dimethylamine

: 164118-71-2
erucyl dimethylamidopropyl hydroxy sulfobetaine

Conditions

Conditions	Yield
With sodium hydroxide In water; isopropyl alcohol at 78℃; for 12h;	92%

: 126-83-0
sodium 3-chloro-2-hydroxypropane-sulfonate

: 7311-30-0
N-methyldodecylamine

: 1414933-00-8
2-hydroxy-3-(N-methyldodecylammonio)propanesulfonate

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 130℃; for 24h; Inert atmosphere;	91%

: 126-83-0
sodium 3-chloro-2-hydroxypropane-sulfonate

: Dimethyl-((E)-octadec-9-enyl)-amine

: C23H47NO4S

Conditions

Conditions	Yield
at 80℃; for 6h;	90.43%

: 126-83-0
sodium 3-chloro-2-hydroxypropane-sulfonate

: 175897-85-5
tris(4-aza-2-hydroxydodecyl)amine

: 71-36-3
butan-1-ol

: tris(4-aza-2,6-dihydroxy-4-octyl-7-sulfoheptyl)amine

Conditions

Conditions	Yield
In ethanol	88.2%

...Expand

: 126-83-0
sodium 3-chloro-2-hydroxypropane-sulfonate

: C31H56N2O

: C34H62N2O5S

Conditions

Conditions	Yield
In methanol at 130℃; under 2250.23 Torr; for 10h;	88%

: 126-83-0
sodium 3-chloro-2-hydroxypropane-sulfonate

: N-(2-perfluorobutyl)ethyl dipropylamine

: C15H24F9NO4S

Conditions

Conditions	Yield
In isopropyl alcohol for 14h; Reflux;	88%

: 126-83-0
sodium 3-chloro-2-hydroxypropane-sulfonate

: N-(1,1,2,3,3,4,4,5,5-decafluorobutyl)dipropylamine

: C16H23F12NO4S

Conditions

Conditions	Yield
In water; isopropyl alcohol for 16h; pH=9; Reflux;	87.8%

: 126-83-0
sodium 3-chloro-2-hydroxypropane-sulfonate

: N-perfluorohexyldiethanolamine

: C11H12F13NO6S

Conditions

Conditions	Yield
In water; isopropyl alcohol for 16h; pH=9; Reflux;	86.2%

: 126-83-0
sodium 3-chloro-2-hydroxypropane-sulfonate

: N-(2-perfluorohexyl)methyl diethanolamine

: C14H18F13NO6S

Conditions

Conditions	Yield
In water; isopropyl alcohol for 16h; pH=9; Reflux;	85.7%

: 126-83-0
sodium 3-chloro-2-hydroxypropane-sulfonate

: sodium 2,3-epoxypropanesulfonate

Conditions

Conditions	Yield
With sodium phosphate In water at 55℃; for 4h;	85.2%
With sodium phosphate In water at 55℃; for 4h;

: 126-83-0
sodium 3-chloro-2-hydroxypropane-sulfonate

: N-(2-perfluorohexyl)ethyl diallylamine

: C17H20F13NO4S

Conditions

Conditions	Yield
In water; isopropyl alcohol for 16h; pH=9; Reflux;	85.2%

: 126-83-0
sodium 3-chloro-2-hydroxypropane-sulfonate

: 27607-35-8
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-octyl diethanolamine

: C15H20F13NO6S

Conditions

Conditions	Yield
In water; isopropyl alcohol for 16h; pH=9; Reflux;	84.4%

: 126-83-0
sodium 3-chloro-2-hydroxypropane-sulfonate

: 102-27-2
N-ethyl-m-toulidine

: 82692-93-1
N-ethyl-N-(2-hydroxy-3-sulfonatopropyl)-3-methylaniline sodium salt

Conditions

Conditions	Yield
With sodium hydroxide In water; isopropyl alcohol for 3h; Heating;	83.4%

: 126-83-0
sodium 3-chloro-2-hydroxypropane-sulfonate

: N-(2-perfluorobutyl)ethyl dibenzylamine

: C23H24F9NO4S

Conditions

Conditions	Yield
In water; isopropyl alcohol for 18h; pH=9; Reflux;	83.2%

: 126-83-0
sodium 3-chloro-2-hydroxypropane-sulfonate

: 3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-(2-di-methylaminoethyl)propanamide

: 3-({2-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanamido]ethyl}-N,N-dimethylammonium)-2-hydroxypropane-1-sulfonate

Conditions

Conditions	Yield
Stage #1: sodium 3-chloro-2-hydroxypropane-sulfonate; 3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-(2-di-methylaminoethyl)propanamide In water; isopropyl alcohol for 6h; Reflux; Stage #2: With sodium carbonate In water; isopropyl alcohol for 7h; Reflux;	83%

: 126-83-0
sodium 3-chloro-2-hydroxypropane-sulfonate

: 2155-94-4
N,N-dimethyl-2-propen-1-amine

: C8H17NO4S

Conditions

Conditions	Yield
In ethanol at 80℃; for 12h; Temperature; Inert atmosphere;	83%

: 126-83-0
sodium 3-chloro-2-hydroxypropane-sulfonate

: 3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-(3-di-methylaminopropyl)propanamide

: 3-({3-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanamido]propyl}-N,N-dimethylammonium)-2-hydroxypropane-1-sulfonate

Conditions

Conditions	Yield
Stage #1: sodium 3-chloro-2-hydroxypropane-sulfonate; 3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-(3-di-methylaminopropyl)propanamide In water; isopropyl alcohol Reflux; Stage #2: With sodium carbonate In water; isopropyl alcohol Reflux;	80%

: 126-83-0
sodium 3-chloro-2-hydroxypropane-sulfonate

: 103-69-5
N-ethyl-N-phenylamine

: 82692-89-5
sodium salt of N-ethyl-N-(2-hydroxy-3-sulfopropyl)aniline

Conditions

Conditions	Yield
With sodium hydroxide In water; isopropyl alcohol for 3h; Heating;	79%

: 100-76-5
Quinuclidine

: 126-83-0
sodium 3-chloro-2-hydroxypropane-sulfonate

: 1-(3-sulfo-2-hydroxypropyl)quinuclidinium inner salt

Conditions

Conditions	Yield
Stage #1: Quinuclidine; sodium 3-chloro-2-hydroxypropane-sulfonate In 1,4-dioxane; water at 80℃; for 3h; Stage #2: With Dowex 50x8	77%

: 126-83-0
sodium 3-chloro-2-hydroxypropane-sulfonate

: 13342-22-8
3,5-dimethyl-N-ethylaniline

: 82692-97-5
sodium salt of 3,5-dimethyl-N-ethyl-N-(2-hydroxy-3-sulfopropyl)aniline

Conditions

Conditions	Yield
With sodium hydroxide In water; isopropyl alcohol for 3h; Heating;	68%

: 110-89-4
piperidine

: 126-83-0
sodium 3-chloro-2-hydroxypropane-sulfonate

: 2-hydroxy-3-piperidin-1-ylpropane-1-sulfonic acid

Conditions

Conditions	Yield
Stage #1: piperidine; sodium 3-chloro-2-hydroxypropane-sulfonate In water at 70 - 80℃; for 7h; Stage #2: With Dowex 50x8	68%

: 126-83-0
sodium 3-chloro-2-hydroxypropane-sulfonate

: 41115-30-4
N-ethyl-m-anisidine

: 82692-96-4
sodium salt of N-ethyl-N-(2-hydroxy-3-sulfopropyl)-m-anisidine

Conditions

Conditions	Yield
With sodium hydroxide In water; isopropyl alcohol for 3h; Heating;	65%

: 126-83-0
sodium 3-chloro-2-hydroxypropane-sulfonate

: 556-52-5
oxiranyl-methanol

: 1-hydroxy-2-sulfoethyl-N,N-dimethyl-N-(2,3-dihydroxypropyl)-N-methaneaminium hydroxide

Conditions

Conditions	Yield
With dimethyl amine In nitrogen; water	65%

: 126-83-0
sodium 3-chloro-2-hydroxypropane-sulfonate

: 73674-62-1
3,5-dimethoxy-phenylethylamine

: 83777-30-4
sodium salt of 3,5-dimethoxy-N-ethyl-N-(2-hydroxy-3-sulfopropyl)aniline

Conditions

Conditions	Yield
With sodium hydroxide In water; isopropyl alcohol for 3h; Heating;	61%

: 126-83-0
sodium 3-chloro-2-hydroxypropane-sulfonate

: 75-64-9
tert-butylamine

: 3-(tert-butylamino)-2-hydroxy-1-propanesulfonic acid

Conditions

Conditions	Yield
Stage #1: sodium 3-chloro-2-hydroxypropane-sulfonate; tert-butylamine In methanol; water at 35 - 45℃; for 3.56h; Stage #2: With Dowex 50x8	59%

: 126-83-0
sodium 3-chloro-2-hydroxypropane-sulfonate

: 100-46-9
benzylamine

: 1-(N-benzylamino)-2-hydroxy-1-propanesulfonic acid sodium salt

Conditions

Conditions	Yield
In 1,4-dioxane; water at 80℃; for 4.5h;	50%

: 126-83-0
sodium 3-chloro-2-hydroxypropane-sulfonate

: (3-tert-butyl-4-methoxybenzyl)-piperazine dihydrochloride

: 1383744-17-9
3-(1-(3-tert-butyl-4-methoxybenzyl)piperazine-4-yl)-2-hydroxy-1-propanesulfonic acid potassium salt

Conditions

Conditions	Yield
Stage #1: (3-tert-butyl-4-methoxybenzyl)-piperazine dihydrochloride With potassium hydrogencarbonate In water Stage #2: sodium 3-chloro-2-hydroxypropane-sulfonate With potassium iodide In water for 5h; Reflux;	45%

Sodium 3-chloro-2-hydroxypropanesulfonate Specification

The IUPAC name of 1-Propanesulfonic acid,3-chloro-2-hydroxy-, sodium salt (1:1) is 3-chloro-2-hydroxypropane-1-sulfonic acid; sodium. With the CAS registry number 126-83-0, it is also named as Sodium 3-chloro-2-hydroxypropylsulfonate. The product's other registry number is 97867-30-6. Besides, it is white crystalline powder, which should be stored at room temperature. In addition, its molecular formula is C₃H₇ClO₄S^.Na and molecular weight is 196.58.

The other characteristics of this product can be summarized as: (1)EINECS: 204-807-0; (2)ACD/LogP: -1.82; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -5.28; (5)ACD/LogD (pH 7.4): -5.32; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 4; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 4; (13)Polar Surface Area: 71.98 Å²; (14)Melting Point: 256 °C.

Uses of 1-Propanesulfonic acid,3-chloro-2-hydroxy-, sodium salt (1:1): it can react with 3,5-dimethyl-N-ethylaniline to get sodium salt of 3,5-dimethyl-N-ethyl-N-(2-hydroxy-3-sulfopropyl)aniline.

This reaction needs NaOH, propan-2-ol and H₂O by heating for 3 hours. The yield is 68 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C(C(CCl)O)S(=O)(=O)O.[Na]
(2)InChI: InChI=1S/C3H7ClO4S.Na/c4-1-3(5)2-9(6,7)8;/h3,5H,1-2H2,(H,6,7,8)
(3)InChIKey: NWISHBWZLSLOBC-UHFFFAOYSA-N

Product Name

3-CHLORO-2-HYDROXYPROPANESULFONIC ACID SODIUM SALT

Synthetic route

Sodium 3-chloro-2-hydroxypropanesulfonate Specification

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