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Sodium 3-chloro-2-hydroxypropanesulfonate

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Name

Sodium 3-chloro-2-hydroxypropanesulfonate

EINECS 204-807-0
CAS No. 126-83-0 Density 1.649 g/cm3
PSA 85.81000 LogP 0.21210
Solubility 405g/L at 20℃ Melting Point N/A
Formula C3H7ClO4S.Na Boiling Point N/A
Molecular Weight 196.587 Flash Point N/A
Transport Information N/A Appearance white crystalline powder
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 126-83-0 (3-CHLORO-2-HYDROXYPROPANESULFONIC ACID SODIUM SALT) Hazard Symbols N/A
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;

Article Data 25

Sodium 3-chloro-2-hydroxypropanesulfonate Synthetic route

106-89-8

epichlorohydrin

126-83-0

sodium 3-chloro-2-hydroxypropane-sulfonate

Conditions
ConditionsYield
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
ConditionsYield
In sodium hydroxide; water50%
In sodium hydroxide; water50%
96-23-1

1,3-Dichloro-2-propanol

Na2SO3

Na2SO3

126-83-0

sodium 3-chloro-2-hydroxypropane-sulfonate

Conditions
ConditionsYield
With water
106-89-8

epichlorohydrin

NaHSO3

NaHSO3

126-83-0

sodium 3-chloro-2-hydroxypropane-sulfonate

Conditions
ConditionsYield
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
ConditionsYield
In water424.0 g (82%)

sodium hydrogensulfite

106-89-8

epichlorohydrin

126-83-0

sodium 3-chloro-2-hydroxypropane-sulfonate

Conditions
ConditionsYield
In not given 100°C;
In not given 100°C;
66794-22-7

epoxychloropropane

126-83-0

sodium 3-chloro-2-hydroxypropane-sulfonate

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

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

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