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Molecule
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
Identifiers
CAS Registry Number
6409-77-4
SMILES
Nc1c(O)c(S(=O)(=O)O)c(O)c2c1C(=O)c1ccccc1C2=O.[Na]
InChI Key
IMHHZEAFNULQIU-UHFFFAOYSA-N
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);
Names and Synonyms
- Nuclear Fast Red Common Name
- 2-Anthracenesulfonic acid, 4-amino-9,10-dihydro-1,3-dihydroxy-9,10-dioxo-, sodium salt (1:1) Synonym
- 2-Anthracenesulfonic acid, 4-amino-9,10-dihydro-1,3-dihydroxy-9,10-dioxo-, monosodium salt Synonym
- C.I. 60760 Synonym
- Helio Fast Rubine BBL Synonym
- Nuclear Fast Red Synonym
- Kernechtrot Synonym
- Nuclear Fast Red (acid dye) Synonym
- Sodium 1,3-dihydroxy-4-aminoanthraquinone-2-sulfonate Synonym
- Helioechtrubin Synonym
- Calciumrot Synonym
- Helioechtrubin BBL Synonym
- Calcium red Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 358.28 g/mol | CAS Common Chemistry |
| 358.2830000000001 g/mol | RDKit | |
| 358.283 g/mol | RDKit | |
| 359.284 g/mol | chempirical lib | |
| 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 |
| 0.3213 | RDKit | |
| Molar Refractivity | 83.05960000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 357.99974190800003 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 358.28 g/mol. Edit any field — others recompute live.
