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Folin'S Reagent
CAS: 521-24-4 | C10H6NaO5S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
521-24-4
Molecular Formula:
C10H6NaO5S
Molecular Mass:
261.21 g/mol
Names and Synonyms:
Folin'S Reagent
1-Naphthalenesulfonic acid, 3,4-dihydro-3,4-dioxo-, sodium salt (1:1)
1-Naphthalenesulfonic acid, 3,4-dihydro-3,4-dioxo-, sodium salt
β-Naphthoquinone-4-sulfonate sodium salt
Sodium 3,4-dihydro-3,4-dioxo-1-naphthalenesulfonate
Sodium β-naphthoquinone-4-sulfonate
Sodium 1,2-naphthoquinone-4-sulfonate
1,2-Naphthoquinone-4-sulfonic acid sodium salt
Sodium β-naphthoquinonesulfonate
1,2-Naphthoquinone-4-sodium sulfonate
Sodium 3,4-dioxo-1-naphthalenesulfonate
Folin reagent
Identifiers:
SMILES:
O=C1C=C(S(=O)(=O)O)c2ccccc2C1=O.[Na]
InChI:
InChI=1S/C10H6O5S.Na/c11-8-5-9(16(13,14)15)6-3-1-2-4-7(6)10(8)12;/h1-5H,(H,13,14,15);
Key Properties
Melting Point
287 °C (decomp)
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 261.21 g/mol | CAS Common Chemistry |
| 260.98336357200003 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Folin%27s_reagent | CAS Common Chemistry |
| Canonical SMILES | [Na].O=C1C=C(C=2C=CC=CC2C1=O)S(=O)(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C10H6O5S.Na/c11-8-5-9(16(13,14)15)6-3-1-2-4-7(6)10(8)12;/h1-5H,(H,13,14,15); | CAS Common Chemistry |
| InChI Key | InChIKey=TYGHBVITNSZMPS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 287 °C (decomp) | CAS Common Chemistry |
| Name | Sodium 1,2-naphthoquinone-4-sulfonate | CAS Common Chemistry |
| Folin's reagent | CAS Common Chemistry | |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 88.50999999999999 Ų | RDKit |
| LogP | 0.2999000000000001 | RDKit |
| Molar Refractivity | 61.05910000000001 | RDKit |
