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CAS No.: | 5325-43-9 |
---|---|
Name: | 1,2-ETHANEDISULFONIC ACID DISODIUM SALT |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C2H4Na2O6S2 |
Molecular Weight: | 234.162 |
Synonyms: | 1,2-Ethanedisulfonicacid, disodium salt (7CI,8CI,9CI);Disodium 1,2-ethanedisulfonate; |
EINECS: | 226-198-0 |
Appearance: | white crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26 |
PSA: | 131.16000 |
LogP: | 0.23840 |
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The 1,2-Ethanedisulfonicacid, sodium salt (1:2), with CAS registry number 5325-43-9, has the systematic name of disodium ethane-1,2-disulfonate. Besides this, it is also called 1,2-Ethanedisulfonic acid, disodium salt. This chemical is a kind of white crystalline powder. And the chemical formula of this chemical is C2H4Na2O6S2. What's more, its EINECS is 226-198-0.
Physical properties of 1,2-Ethanedisulfonicacid, sodium salt (1:2): (1)ACD/LogP: -3.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -8.19; (4)ACD/LogD (pH 7.4): -8.19; (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: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 125.5 Å2.
When you are using this chemical, please be cautious about it as the following:
The 1,2-Ethanedisulfonicacid, sodium salt (1:2) irritates to eyes, respiratory system and skin. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].O=S(=O)([O-])CCS([O-])(=O)=O
(2)InChI: InChI=1/C2H6O6S2.2Na/c3-9(4,5)1-2-10(6,7)8;;/h1-2H2,(H,3,4,5)(H,6,7,8);;/q;2*+1/p-2
(3)InChIKey: BJTHMUJCKBTCFR-NUQVWONBAS
(4)Std. InChI: InChI=1S/C2H6O6S2.2Na/c3-9(4,5)1-2-10(6,7)8;;/h1-2H2,(H,3,4,5)(H,6,7,8);;/q;2*+1/p-2
(5)Std. InChIKey: BJTHMUJCKBTCFR-UHFFFAOYSA-L