3-Hydroxy-1-propansulfons?ure Natriumsalz
- IUPACName：sodium;3-hydroxypropane-1-sulfonate
- CAS Registry Number: 3542-44-7
- Molekulargewicht：162.14
1. Namen und Bezeichner
- 1.1 Produktname
- 3-Hydroxy-1-propansulfons?ure Natriumsalz
- 1.2 Synonyme
1-HYDROXYPROPANE-3-SULFONIC ACID SODIUM SALT 1-Propanesulfonic acid, 3-hydroxy-, sodium salt (1:1) 1-Propanesulfonic acid,3-hydroxy-, sodium salt (1:1) 3-HYDROXY-1-PROPANESULFONIC ACID, SODIUM SALT 3-hydroxy-1-propanesulfonicacimonosodiumsalt 3-Hydroxypropane-1-sulfonic acid sodium salt Hpsna3-HydroxypropanesulfonicAcid,SodiumSalt Sodium 3-sulfo-1-propanolate
- Alle anzeigen
- 1.3 CAS Registry Number
- 3542-44-7
- 1.4 CID
- 23687212
- 1.5 EINECS-Nummer
- 222-584-8
- 1.6 Summenformel
- HO(CH2)3SO3Na (isomer)
- 1.7 Inchi
- InChI=1S/C3H8O4S.Na/c4-2-1-3-8(5,6)7;/h4H,1-3H2,(H,5,6,7);/q;+1/p-1
- 1.8 InchiKey
- CSKVLUWCGPWCQR-UHFFFAOYSA-M
- 1.9 Kanonisch SMILES
- [Na+].OCCCS([O-])(=O)=O
- 1.10 Isomere SMILES
- C(CO)CS(=O)(=O)[O-].[Na+]
2. Eigenschaften
- 2.1 Schmelzpunkt
- 260?°C (dec.)(lit.)
3. Sicherheit und Handhabung
4. SDB-Informationen
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
6. Synthetischer Weg.
3542-44-7Total: 3 Synthetischer Weg.
8. Computerchemische Daten
- Masse moléculaire: 162.13g/mol
- Summenformel: C3H7NaO4S
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 161.99627416
- Monoisotopic Mass: 161.99627416
- Complexity: 134
- Rotatable Bond Count: 3
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Topological Polar Surface Area: 85.8
- Heavy Atom Count: 9
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 2
- CACTVS Substructure Key Fingerprint: AAADcYBAOCBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgQACAAACACkwAKAAAAAAgIAAAAAAHBAAAAAAAAAAAAAAAAAEAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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10. Realisierte Produktinformationen
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