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Dnoc-Ammonium
CAS: 2980-64-5 | C7H9N3O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2980-64-5
Molecular Formula:
C7H9N3O5
Molecular Mass:
215.17 g/mol
Names and Synonyms:
Dnoc-Ammonium
Phenol, 2-methyl-4,6-dinitro-, ammonium salt (1:1)
o-Cresol, 4,6-dinitro-, ammonium salt
Phenol, 2-methyl-4,6-dinitro-, ammonium salt
o-Cresol, 4,6-dinitro-, NH4 deriv.
o-Cresol, 4,6-dinitro-, ammonium deriv.
4,6-Dinitro-o-cresol ammonium salt
Dinozol 50
Kresonit E
Krezamon
Dinozol
DNOC ammonium salt
Ammonium DNOC
Erbitox
Krezonit E
Superelgetol
Nitrosan
Nitrosan (pesticide)
Kresamone
2-Methyl-4,6-nitrophenol ammonium salt
DNOC-ammonium
Identifiers:
SMILES:
Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O.N
InChI:
InChI=1S/C7H6N2O5.H3N/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14;/h2-3,10H,1H3;1H3
Key Properties
Melting Point
205 °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 | 215.17 g/mol | CAS Common Chemistry |
| 215.165 g/mol | RDKit | |
| 215.054220388 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)C=1C=C(C(O)=C(C1)C)N(=O)=O.N | CAS Common Chemistry |
| InChI | InChI=1S/C7H6N2O5.H3N/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14;/h2-3,10H,1H3;1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QOHVLZBCVSJGFV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 205 °C | CAS Common Chemistry |
| Name | DNOC-ammonium | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 141.51 Ų | RDKit |
| LogP | 1.6790199999999995 | RDKit |
| Molar Refractivity | 51.174700000000016 | RDKit |
