Sodium 2,3,5,6-tetrafluoro-4-hydroxybenzene-1-sulfonate
Basic information
- CAS
221908-17-4- Standard SMILES
O=S(=O)([O-])c1c(F)c(F)c(O)c(F)c1F.[Na+]- InChIKey
HVXPVJLSYQBYCR-UHFFFAOYSA-M- Molecular formula
- C6HF4NaO4S
- Average molar mass
- 268.12 g/mol
- Monoisotopic mass
- 267.94293661
Names & identifiers
- Preferred name
- Sodium 2,3,5,6-tetrafluoro-4-hydroxybenzene-1-sulfonate
- IUPAC
- sodium 2,3,5,6-tetrafluoro-4-hydroxybenzenesulfonate
- English name
- Sodium 2,3,5,6-Tetrafluoro-4-hydroxybenzenesulfonate
- Molecular formula
- C6HF4NaO4S
- Molecular weight
- 268
Names & synonyms
221908-17-4DTXSID80635617Sodium 2,3,5,6-tetrafluoro-4-hydroxybenzene-1-sulfonateRefChem:1098639DTXCID90586368Sodium 2,3,5,6-Tetrafluoro-4-hydroxybenzenesulfonate2,3,5,6-Tetrafluoro-4-hydroxybenzenesulfonic Acid Sodium Saltsodium;2,3,5,6-tetrafluoro-4-hydroxybenzenesulfonateMFCD03427812SCHEMBL3747429HVXPVJLSYQBYCR-UHFFFAOYSA-MAKOS015853341
Show more names
Sodium 2,3,5,6-tetrafluoro-4-sulfophenolateSodium 2,3,5,6-Tetrafluoro-4-hydroxybenzenesulfonate >2,3,5,6-Tetrafluoro-4-hydroxybenzenesulfonic Acid Sodium Salt
FS60333AS-81715BP-14252sodium2,3,5,6-tetrafluoro-4-hydroxybenzenesulfonate
Database identifiers
- CAS
221908-17-4- PubChem CID
- 23686972
- DTXSID
DTXSID80635617
Properties
Computed structural properties
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- storage temp.
- 2 · 2-8°C, sealed storage, away from moisture
- form
- powder to crystal
- color
- White to Almost white
- InChI
- InChI=1S/C6H2F4O4S.Na/c7-1-3(9)6(15(12,13)14)4(10)2(8)5(1)11;/h11H,(H,12,13,14);/q;+1/p-1
- InChIKey
- HVXPVJLSYQBYCR-UHFFFAOYSA-M
- SMILES
- [Na+].C1(S([O-])(=O)=O)=C(F)C(F)=C(O)C(F)=C1F
- CAS DataBase Reference
- 221908 · 221908-17-4
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H320-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330
- HS Code
- 2908.99 · 2908.99.9000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2908.99.9000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H320-H335
- Precautionary statements
- P264-P270-P301+P312-P330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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