Sodium 3-hydroxypropane-1-sulphonate
- Iupac Name：sodium;3-hydroxypropane-1-sulfonate
- CAS No.: 3542-44-7
- Molecular Weight：162.13
- Modify Date.: 2023-02-10 02:29
1. Names and Identifiers
- 1.1 Name
- Sodium 3-hydroxypropane-1-sulphonate
- 1.2 Synonyms
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
- View all
- 1.3 CAS No.
- 3542-44-7
- 1.4 CID
- 23687212
- 1.5 EINECS(EC#)
- 222-584-8
- 1.6 Molecular Formula
- C3H7NaO4S (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 Canonical Smiles
- [Na+].OCCCS([O-])(=O)=O
- 1.10 Isomers Smiles
- C(CO)CS(=O)(=O)[O-].[Na+]
2. Properties
- 2.1 Melting point
- 260?°C (dec.)(lit.)
4. MSDS
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. Synthesis Route
3542-44-7Total: 3 Synthesis Route
8. Computational chemical data
- Molecular Weight: 162.13g/mol
- Molecular Formula: 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==
9. Recommended Suppliers
-
- Products:Medical Intermediate,Lithium Battery Additive,Organicetc Chemical, Organic Chemical, Paint Chemical and Detergent Chemical etc..
- Tel:0086-0371-55170693
- Email:info@tianfuchem.com
-
- Products:Pharmaceutical Intermediates,Liquid Crystal Intermediates,Single Liquid Crystal,PDLC Liquid Crystal,OLED Organic Light Emitting Display.
- Tel:86-311-80800737
-
-
-
- Products:2,4,6-Trichlorobenzoic acid chloride,2,4,6-Trichlorobenzoic acid,4-(Trifluoromethyl)-1H-imidazole,2-Methyl-4-trifluoromethylimidazole
- Tel:0086-512-63926205
10. Realated Product Infomation
skype
2YRS
