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CAS No.: | 1561-99-5 |
---|---|
Name: | POTASSIUM ISETHIONATE |
Molecular Structure: | |
Formula: | C2H6O4S·K |
Molecular Weight: | 164.224 |
Synonyms: | Ethanesulfonicacid, 2-hydroxy-, monopotassium salt (8CI,9CI);Potassium 2-hydroxyethanesulfonate;Potassium isethionate; |
EINECS: | 216-342-0 |
Density: | 1.625g/cm3 |
Melting Point: | 191-193°C |
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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The Ethanesulfonic acid,2-hydroxy-, potassium salt (1:1), with the CAS registry number 1561-99-5, is also known as Potassium 2-hydroxyethanesulfonate. Its EINECS number is 216-342-0. This chemical's molecular formula is C2H6O4S·K and molecular weight is 165.23. What's more, its IUPAC name is potassium 2-hydroxyethanesulfonic acid. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. What's more, it should be protected from oxidants.
Physical properties of 1H-Benzimidazole-7-carboxylicacid, 5-chloro- 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: 71.98 ?2.
When you are using this chemical, please be cautious about it as the following:
It has a limited evidence of a carcinogenic effect. You should not breathe dust When using it, you must avoid contact with skin and eyes, and you should also wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(CS(=O)(=O)O)O.[K+]
(2)InChI: InChI=1S/C2H6O4S.K/c3-1-2-7(4,5)6;/h3H,1-2H2,(H,4,5,6);/q;+1
(3)InChIKey: DMNPUBKRNRRYMC-UHFFFAOYSA-N