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Molecule
Monochrome Yellow 1 Sodium Salt
CAS: 584-42-9 · C13H9N3NaO5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 584-42-9
- Molecular Formula
- C13H9N3NaO5
- Molecular Mass
- 310.22 g/mol
Identifiers
CAS Registry Number
584-42-9
SMILES
O=C(O)c1cc(N=Nc2cccc([N+](=O)[O-])c2)ccc1O.[Na]
InChI Key
MIUNFDBDKWAGRK-UHFFFAOYSA-N
InChI
InChI=1S/C13H9N3O5.Na/c17-12-5-4-9(7-11(12)13(18)19)15-14-8-2-1-3-10(6-8)16(20)21;/h1-7,17H,(H,18,19);
Names and Synonyms
- Monochrome Yellow 1 Sodium Salt Common Name
- Benzoic acid, 2-hydroxy-5-[2-(3-nitrophenyl)diazenyl]-, sodium salt (1:1) Synonym
- C.I. Mordant Yellow 1, monosodium salt Synonym
- Benzoic acid, 2-hydroxy-5-[(3-nitrophenyl)azo]-, monosodium salt Synonym
- C.I. Mordant Yellow 1 Synonym
- Salicylic acid, 5-(m-nitrophenylazo)-, sodium salt Synonym
- C.I. 14025 Synonym
- Acid Chrome Yellow 2GW Synonym
- Acid Chrome Yellow GG Synonym
- Alizarine Yellow 2G Synonym
- Alizarine Yellow G Synonym
- Alizarine Yellow AGP Synonym
- Alizarine Yellow GGW Synonym
- Alizarine Yellow GM Synonym
- Alizarine Yellow GR Synonym
- Alizarin Yellow Synonym
- Alizarol Yellow GW Synonym
- Anthranol Chrome Yellow 2G Synonym
- Anthranol Chrome Yellow 5GS Synonym
- Atlantichrome Yellow 2G Synonym
- Azochromol Yellow 5G Synonym
- Calcochrome Yellow 2G Synonym
- Chrome Fast Yellow RW Synonym
- Chrome Yellow 2G Synonym
- Chrome Yellow 2GR Synonym
- Chromol Yellow G Synonym
- Chromol Yellow N Synonym
- Cromal Yellow M Synonym
- Eniacromo Yellow G Synonym
- Eriochromal Yellow 2G Synonym
- Eriochrome Yellow 2G Synonym
- Fenakrom Yellow R Synonym
- Hidachrome Yellow 2G Synonym
- Hispacrom Yellow 2G Synonym
- Hispacrom Yellow 2GR Synonym
- Java Chrome Yellow GT Synonym
- Java Unichrome Yellow GT Synonym
- Kayaku Mordant Yellow GG Synonym
- Magracrom Yellow GG Synonym
- Metachrome Yellow RA Synonym
- Metomega Chrome Yellow GM Synonym
- Mitsui Chrome Yellow GG Synonym
- Monochrome Yellow MG Synonym
- Orthochrome Yellow GGW Synonym
- Pontachrome Yellow GS Synonym
- Salicyl yellow Synonym
- Showa Chrome Yellow GG Synonym
- Sodium m-nitrobenzeneazosalicylate Synonym
- Solochrome Yellow WN Synonym
- Sunchromine Yellow GG Synonym
- Yodochrome Yellow GGN Synonym
- RV 1 Synonym
- Sodium 5-(m-nitrophenylazo)salicylate Synonym
- Sodium 5-[(3-nitrophenyl)azo]salicylate Synonym
- Alizarin Yellow G Synonym
- Metachrome Yellow Synonym
- Eriochrome Yellow GS Synonym
- Alizarine Yellow GG Synonym
- Alizarin Yellow GG Synonym
- Alizarin Yellow G sodium salt Synonym
- Salicylic acid, (m-nitrophenylazo)-, sodium salt Synonym
- Alizarine Yellow ZhZh Synonym
- Alizarine Yellow Zh Synonym
- Monochrome Yellow 1 sodium salt Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 310.22 g/mol | CAS Common Chemistry |
| 310.22100000000006 g/mol | RDKit | |
| 310.221 g/mol | RDKit | |
| 311.229 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=C(O)C1=CC(N=NC2=CC=CC(=C2)N(=O)=O)=CC=C1O | CAS Common Chemistry |
| InChI | InChI=1S/C13H9N3O5.Na/c17-12-5-4-9(7-11(12)13(18)19)15-14-8-2-1-3-10(6-8)16(20)21;/h1-7,17H,(H,18,19); | CAS Common Chemistry |
| InChI Key | InChIKey=MIUNFDBDKWAGRK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Monochrome Yellow 1 sodium salt | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 125.39 Ų | RDKit |
| 120.55 Ų | chempirical lib | |
| LogP | 3.0332000000000012 | RDKit |
| 3.0332 | RDKit | |
| Molar Refractivity | 78.09250000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 310.04398966800005 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
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40
20
0 ppm
| 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.
External Resources
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MW = 310.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H9N3NaO5.
