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Molecule
Martius Yellow
CAS: 605-69-6 · C10H6N2O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 605-69-6
- Molecular Formula
- C10H6N2O5
- Molecular Mass
- 234.17 g/mol
Identifiers
CAS Registry Number
605-69-6
SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c2ccccc2c1O
InChI Key
FFRBMBIXVSCUFS-UHFFFAOYSA-N
InChI
InChI=1S/C10H6N2O5/c13-10-7-4-2-1-3-6(7)8(11(14)15)5-9(10)12(16)17/h1-5,13H
Names and Synonyms
- Martius Yellow Synonym
- 1-Naphthalenol, 2,4-dinitro- Synonym
- 1-Naphthol, 2,4-dinitro- Synonym
- 2,4-Dinitro-1-naphthalenol Synonym
- Martius yellow Synonym
- 2,4-Dinitronaphthol Synonym
- 2,4-Dinitro-1-naphthol Synonym
- Martinsgelb Synonym
- 1-Hydroxy-2,4-dinitronaphthalene Synonym
- NSC 6148 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 234.17 g/mol | CAS Common Chemistry |
| 234.167 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Martius_yellow | CAS Common Chemistry |
| Canonical SMILES | O=N(=O)C=1C=C(C=2C=CC=CC2C1O)N(=O)=O | CAS Common Chemistry |
| InChI | InChI=1S/C10H6N2O5/c13-10-7-4-2-1-3-6(7)8(11(14)15)5-9(10)12(16)17/h1-5,13H | CAS Common Chemistry |
| InChI Key | InChIKey=FFRBMBIXVSCUFS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 137.5 °C | CAS Common Chemistry |
| Name | 2,4-Dinitro-1-naphthol | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 106.51 Ų | RDKit |
| 96.83 Ų | chempirical lib | |
| LogP | 2.3618 | RDKit |
| Molar Refractivity | 58.92160000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 234.027671292 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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.
External Resources
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MW = 234.17 g/mol. Edit any field — others recompute live.
