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| CAS No.: | 126-83-0 |
|---|---|
| Name: | 3-CHLORO-2-HYDROXYPROPANESULFONIC ACID SODIUM SALT |
| Molecular Structure: | |
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| Formula: | C3H7ClO4S.Na |
| Molecular Weight: | 196.587 |
| 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; |
| EINECS: | 204-807-0 |
| Density: | 1.649 g/cm3 |
| Solubility: | 405g/L at 20℃ |
| Appearance: | white crystalline powder |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 85.81000 |
| LogP: | 0.21210 |
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| Conditions | Yield |
|---|---|
| With sodium hydrogensulfite In water at 85℃; | 80.6% |
| With sodium hydrogensulfite In water | |
| With sodium hydrogen sulfate In water |
| Conditions | Yield |
|---|---|
| In sodium hydroxide; water | 50% |
| In sodium hydroxide; water | 50% |
| Conditions | Yield |
|---|---|
| With water |
| Conditions | Yield |
|---|---|
| With water at 15℃; | |
| beim Erhitzen auf dem Wasserbad; |
| Conditions | Yield |
|---|---|
| In water | 424.0 g (82%) |
| 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 | Yield |
|---|---|
| With sodium sulfate under 1034.32 Torr; Inert atmosphere; Heating; |
| 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 | 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 | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 130℃; for 24h; Inert atmosphere; | 91% |
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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.
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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