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| CAS No.: | 5462-60-2 |
|---|---|
| Name: | SULFOACETIC ACID DISODIUM SALT |
| Molecular Structure: | |
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| Formula: | C2H4O5S.2Na |
| Molecular Weight: | 184.08 |
| Synonyms: | Aceticacid, sulfo-, disodium salt (8CI,9CI);Disodium sulfonoacetate;Sulfoaceticacid disodium salt;Disodium 2-sulfonatoacetate;Acetic acid, sulfo-, disodium salt;AC1L2XPF;AC1MC2OG;AC1Q1URB;Disodium sulphonatoacetate; |
| EINECS: | 226-752-1 |
| Density: | 1.875 g/cm3 |
| Melting Point: | 330 °C |
| Appearance: | a beige-brown crystalline powder |
| Safety: | 24/25 |
| PSA: | 105.71000 |
| LogP: | -1.63770 |
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Specification
The Acetic acid, 2-sulfo-,sodium salt (1:2) with CAS registry number of 5462-60-2 is also known as Sulfoaceticacid disodium salt. The IUPAC name is Disodium 2-sulfonatoacetate. Its EINECS registry number is 226-752-1. In addition, the formula is C2H4O5S.2Na and the molecular weight is 184.08. This chemical is a beige-brown crystalline powder. When you are using this chemical, avoid contact with skin and eyes. It is stable at normal temperature and pressure, and should be stored in sealed containers in cool, dry place.
Physical properties about Acetic acid, 2-sulfo-,sodium salt (1:2) are: (1)ACD/LogP: -2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6.76; (4)ACD/LogD (pH 7.4): -7; (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: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 100.05Å2; (13)Exact Mass: 183.941833; (14)MonoIsotopic Mass: 183.941833; (15)Topological Polar Surface Area: 106; (16)Heavy Atom Count: 10.
You can still convert the following datas into molecular structure:
1. SMILES: [Na+].[Na+].[O-]C(=O)CS([O-])(=O)=O
2. InChI: InChI=1/C2H4O5S.2Na/c3-2(4)1-8(5,6)7;;/h1H2,(H,3,4)(H,5,6,7);;/q;2*+1/p-2
3. InChIKey: BMDIYDZEBRJMPF-NUQVWONBAW
4. Std. InChI: InChI=1S/C2H4O5S.2Na/c3-2(4)1-8(5,6)7;;/h1H2,(H,3,4)(H,5,6,7);;/q;2*+1/p-2
5. Std. InChIKey: BMDIYDZEBRJMPF-UHFFFAOYSA-L