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| CAS No.: | 1804-87-1 |
|---|---|
| Name: | Sodium 2-sulfoethyl methacrylate |
| Molecular Structure: | |
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| Formula: | C6H9NaO5S |
| Molecular Weight: | 216.19 |
| Synonyms: | 2-Propenoicacid, 2-methyl-, 2-sulfoethyl ester, sodium salt (9CI);Methacrylic acid, 2-sulfoethylester, sodium salt (6CI);Methacrylic acid, ester with 2-hydroxyethanesulfonicacid, sodium salt (7CI,8CI);Ethanesulfonic acid, 2-hydroxy-, methacrylate,sodium salt (8CI);2-Sodiosulfoethyl methacrylate;2-Sulfoethyl methacrylatesodium salt;Antox MS 2N;Newfrontier LX 1000;Sodium2-(methacryloyloxy)ethanesulfonate;Sodium 2-sulfoethyl methacrylate;sodium 2-[(2-methylacryloyl)oxy]ethanesulfonate; |
| EINECS: | 217-295-9 |
| Melting Point: | 245 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 91.88000 |
| LogP: | 0.73170 |
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Specification
The Sodium 2-sulfoethyl methacrylate, with the CAS registry number 1804-87-1 and EINECS registry number 217-295-9, has the systematic name of sodium 2-[(2-methylacryloyl)oxy]ethanesulfonate. And the molecular formula of the chemical is C6H9NaO5S.
The characteristics of this chemical are as followings: (1)H-Bond Donor 0; (2)H-Bond Acceptor 5; (3)Rotatable Bond Count 5; (4)Exact Mass 216.006839; (5)MonoIsotopic Mass 216.006839; (6)Topological Polar Surface Area 91.9; (7)Heavy Atom Count 13; (8)Formal Charge 0; (9)Complexity 276; (10)Isotope Atom Count 0; (11)Defined Atom StereoCenter Count 0; (12)Undefined Atom StereoCenter Count 0; (13)Defined Bond StereoCenter Count 0; (14)Undefined Bond StereoCenter Count 0; (15)Covalently-Bonded Unit Count 2.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Na+].[O-]S(=O)(=O)CCOC(=O)\C(=C)C
(2)InChI: InChI=1/C6H10O5S.Na/c1-5(2)6(7)11-3-4-12(8,9)10;/h1,3-4H2,2H3,(H,8,9,10);/q;+1/p-1
(3)InChIKey: DEWNCLAWVNEDHG-REWHXWOFAQ