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| CAS No.: | 1562-00-1 |
|---|---|
| Name: | Sodium isethionate |
| Article Data: | 24 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C2H5NaO4S |
| Molecular Weight: | 148.115 |
| Synonyms: | Ethanesulfonicacid, 2-hydroxy-, monosodium salt (8CI,9CI);Ethanesulfonic acid, 2-hydroxy-,sodium salt (7CI);Isethionic acid sodium salt (6CI);2-Hydroxyethanesulfonicacid sodium salt;Adeka Tec HES;Sodium 1-hydroxy-2-ethanesulfonate;Sodium 2-hydroxyethanesulfonate;Sodium b-hydroxyethanesulfonate;Sodium hydroxyethylsulfonate;Isethionic acid, sodium salt; |
| EINECS: | 216-343-6 |
| Density: | 1.625 g/cm3 |
| Melting Point: | 191-194 °C(lit.) |
| Solubility: | Soluble in water |
| Appearance: | White crystalline powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 40 |
| Safety: | 24/25-36-22 |
| PSA: | 85.81000 |
| LogP: | -0.39530 |
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| Conditions | Yield |
|---|---|
| With sodium hydrogen sulfate at 40℃; for 0.25h; Temperature; Large scale; | 99.5% |
| With water; sodium hydrogensulfite | |
| With sodium metabisulfite |
| Conditions | Yield |
|---|---|
| With copper; sodium sulfite In ethanol; water for 22h; Reflux; | 77.4% |
- 78303-70-5
2-hydroxyethane-1-sulfonyl chloride
A
- 43166-41-2
sodium 2-hydroxyethanesulfinate
B
- 1562-00-1
sodium 2-hydroxyethanesulfonate
| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate; sodium sulfite In water at 25℃; for 2.5h; | A 51% B 20% |
- 110-86-1
pyridine
- 78303-70-5
2-hydroxyethane-1-sulfonyl chloride
A
- 24020-66-4
pyridinebetaine B
B
- 1562-00-1
sodium 2-hydroxyethanesulfonate
C
- 15484-44-3
Na-salt of 2-chloroethane-1-sulfonic acid
D
- 87323-96-4
C2H4(2)HO4S(1-)*Na(1+)
| Conditions | Yield |
|---|---|
| With deuteriated sodium hydroxide In water-d2 at 25℃; for 0.5h; apparent pH 6; Further byproducts given. Yields of byproduct given; | A 57 % Spectr. B n/a C 7 % Spectr. D n/a |
- 540-72-7
sodium thiocyanide
- 78303-70-5
2-hydroxyethane-1-sulfonyl chloride
A
- 1562-00-1
sodium 2-hydroxyethanesulfonate
B
- 124739-85-1
sodium thiocyanatoethanesulfonate
| Conditions | Yield |
|---|---|
| With sodium perchlorate In acetonitrile at 25℃; Rate constant; Mechanism; Product distribution; pH 3.0; |
- 78303-70-5
2-hydroxyethane-1-sulfonyl chloride
A
- 1562-00-1
sodium 2-hydroxyethanesulfonate
B
- 3039-83-6
sodium vinylsulfonate
C
- 15484-44-3
Na-salt of 2-chloroethane-1-sulfonic acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide; potassium chloride at 25℃; pH 4; | A 52 % Spectr. B n/a C 48 % Spectr. |
- 78303-70-5
2-hydroxyethane-1-sulfonyl chloride
A
- 1562-00-1
sodium 2-hydroxyethanesulfonate
B
- 15484-44-3
Na-salt of 2-chloroethane-1-sulfonic acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide; potassium chloride In 1,2-dimethoxyethane at 25℃; for 1.5h; Product distribution; var. pH; KCl added in var. conc.; | A 90 % Spectr. B 3 % Spectr. |
| With perchloric acid; sodium chloride In acetonitrile at 25℃; Rate constant; Mechanism; Product distribution; var. pH, added salts, time; deuterium labelling experiments; | |
| With sodium hydroxide In 1,2-dimethoxyethane at 25℃; for 1.5h; pH 4; | A 90 % Spectr. B 3 % Spectr. |
| Conditions | Yield |
|---|---|
| In not given in tube autoclave, below 50°C; | |
| In not given for a while, 100°C, in closed tube; |
| Conditions | Yield |
|---|---|
| With oxirane at 78℃; Temperature; |
| Conditions | Yield |
|---|---|
| Stage #1: 2-sulfooxy-ethanesulfonic acid With water for 3h; Reflux; Stage #2: With sodium sulfate; calcium hydroxide In water pH=8 - 9; |
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Specification
The Ethanesulfonic acid,2-hydroxy-, sodium salt (1:1) with CAS registry number of 1562-00-1 is also known as Sodium isethionate. The IUPAC name is Sodium 2-hydroxyethanesulfonate. Its EINECS registry number is 216-343-6. In addition, the formula is C2H5NaO4S and the molecular weight is 148.11. This chemical is a white crystalline powder that soluble in water. It should be sealed in cool, dry place away from oxidants. What's more, it is used as surfactant intermediate, cosmetic and pharmaceutical intermediate.
Physical properties about Ethanesulfonic acid,2-hydroxy-, sodium salt (1:1) are: (1)ACD/LogP: -2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.95; (4)ACD/LogD (pH 7.4): -6.02; (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: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 71.98Å2.
Preparation of Ethanesulfonic acid,2-hydroxy-, sodium salt (1:1): it is prepared by reaction of 2-hydroxyethanesulfonyl chloride with another product of sodium 2-hydroxyethanesulfinate. The reaction needs reagents Na2SO3, NaHCO3 and solvent H2O at the temperature of 25 °C. The yield is about 51%.
Uses of Ethanesulfonic acid,2-hydroxy-, sodium salt (1:1): it is used to produce sodium 2-(3,5-dinitrobenzoyloxy)ethanesulfonate by reaction with sodium 2-(3,5-dinitrobenzoyloxy)ethanesulfonate. The reaction occurs with solvent neat and other condition of heating for 5 minutes. The yield is about 97%.
When you are using this chemical, please be cautious about it. As a chemical, it may cause damage to health. However, there is limited evidence of a carcinogenic effect. During using it, wear suitable protective clothing and do not breathe dust. Avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C(CS(=O)(=O)[O-])O.[Na+]
2. InChI: InChI=1S/C2H6O4S.Na/c3-1-2-7(4,5)6;/h3H,1-2H2,(H,4,5,6);/q;+1/p-1
3. InChIKey: LADXKQRVAFSPTR-UHFFFAOYSA-M