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Scarlet Gn
CAS: 4548-53-2 | C18H16N2Na2O7S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4548-53-2
Molecular Formula:
C18H16N2Na2O7S2
Molecular Mass:
482.45 g/mol
Names and Synonyms:
Scarlet Gn
1-Naphthalenesulfonic acid, 3-[2-(2,4-dimethyl-5-sulfophenyl)diazenyl]-4-hydroxy-, sodium salt (1:2)
C.I. Food Red 1
Ponceau SX
C.I. Food Red 1, disodium salt
1-Naphthalenesulfonic acid, 3-[(2,4-dimethyl-5-sulfophenyl)azo]-4-hydroxy-, disodium salt
1306 Red
12101 Red
C.I. 14700
Certicol Ponceau SXS
Edicol Supra Ponceau SX
FD and C Red No. 4
Food Red 4
Hexacol Ponceau SX
Usacert Red No. 4
Red No. 1
Food Red 1
Red No. 504
FD&C Red No. 4
D and C Red No. 4
Japan Red 504
Japan Red 4
Japan Red No. 504
Japan Red No. 4
FDC Red 4
Red 4
D&C Red #4
Puricolor Red FRE 1
Spring Red SX
Red No. 4
Identifiers:
SMILES:
Cc1cc(C)c(S(=O)(=O)O)cc1N=Nc1cc(S(=O)(=O)O)c2ccccc2c1O.[Na].[Na]
InChI:
InChI=1S/C18H16N2O7S2.2Na/c1-10-7-11(2)16(28(22,23)24)8-14(10)19-20-15-9-17(29(25,26)27)12-5-3-4-6-13(12)18(15)21;;/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27);;
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 | 482.45 g/mol | CAS Common Chemistry |
| 482.4470000000002 g/mol | RDKit | |
| 482.0194314119999 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Scarlet_GN | CAS Common Chemistry |
| Canonical SMILES | [Na].O=S(=O)(O)C1=CC(N=NC=2C=C(C(=CC2C)C)S(=O)(=O)O)=C(O)C=3C=CC=CC31 | CAS Common Chemistry |
| InChI | InChI=1S/C18H16N2O7S2.2Na/c1-10-7-11(2)16(28(22,23)24)8-14(10)19-20-15-9-17(29(25,26)27)12-5-3-4-6-13(12)18(15)21;;/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27);; | CAS Common Chemistry |
| InChI Key | InChIKey=CVHMSLNQIHUXMT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | C.I. Food Red 1 | CAS Common Chemistry |
| Scarlet GN | CAS Common Chemistry | |
| Heavy Atom Count | 31 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 153.68999999999997 Ų | RDKit |
| LogP | 3.309440000000001 | RDKit |
| Molar Refractivity | 116.84200000000003 | RDKit |
