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Nuclear Fast Red
CAS: 6409-77-4 | C14H9NNaO7S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6409-77-4
Molecular Formula:
C14H9NNaO7S
Molecular Mass:
358.28 g/mol
Names and Synonyms:
Nuclear Fast Red
2-Anthracenesulfonic acid, 4-amino-9,10-dihydro-1,3-dihydroxy-9,10-dioxo-, sodium salt (1:1)
2-Anthracenesulfonic acid, 4-amino-9,10-dihydro-1,3-dihydroxy-9,10-dioxo-, monosodium salt
C.I. 60760
Helio Fast Rubine BBL
Nuclear Fast Red
Kernechtrot
Nuclear Fast Red (acid dye)
Sodium 1,3-dihydroxy-4-aminoanthraquinone-2-sulfonate
Helioechtrubin
Calciumrot
Helioechtrubin BBL
Calcium red
Identifiers:
SMILES:
Nc1c(O)c(S(=O)(=O)O)c(O)c2c1C(=O)c1ccccc1C2=O.[Na]
InChI:
InChI=1S/C14H9NO7S.Na/c15-9-7-8(12(18)14(13(9)19)23(20,21)22)11(17)6-4-2-1-3-5(6)10(7)16;/h1-4,18-19H,15H2,(H,20,21,22);
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 | 358.28 g/mol | CAS Common Chemistry |
| 358.2830000000001 g/mol | RDKit | |
| 357.99974190800003 g/mol | RDKit | |
| Canonical SMILES | [Na].O=C1C=2C=CC=CC2C(=O)C3=C(N)C(O)=C(C(O)=C13)S(=O)(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C14H9NO7S.Na/c15-9-7-8(12(18)14(13(9)19)23(20,21)22)11(17)6-4-2-1-3-5(6)10(7)16;/h1-4,18-19H,15H2,(H,20,21,22); | CAS Common Chemistry |
| InChI Key | InChIKey=IMHHZEAFNULQIU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Nuclear Fast Red | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 154.99 Ų | RDKit |
| LogP | 0.32130000000000025 | RDKit |
| Molar Refractivity | 83.05960000000002 | RDKit |
