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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
Names and Synonyms:
Martius Yellow
1-Naphthalenol, 2,4-dinitro-
1-Naphthol, 2,4-dinitro-
2,4-Dinitro-1-naphthalenol
Martius yellow
2,4-Dinitronaphthol
2,4-Dinitro-1-naphthol
Martinsgelb
1-Hydroxy-2,4-dinitronaphthalene
NSC 6148
Identifiers:
SMILES:
O=[N+]([O-])c1cc([N+](=O)[O-])c2ccccc2c1O
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
Key Properties
Melting Point
137.5 °C
CAS Common Chemistry
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 | 234.17 g/mol | CAS Common Chemistry |
| 234.167 g/mol | RDKit | |
| 234.027671292 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 |
| Martius yellow | 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 |
| LogP | 2.3618 | RDKit |
| Molar Refractivity | 58.92160000000002 | RDKit |
