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Fox-7
CAS: 145250-81-3 | C2H4N4O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
145250-81-3
Molecular Formula:
C2H4N4O4
Molecular Mass:
148.08 g/mol
Names and Synonyms:
Fox-7
1,1-Ethenediamine, 2,2-dinitro-
2,2-Dinitro-1,1-ethenediamine
1,1-Diamino-2,2-dinitroethylene
FOX 7
1,1-Diamino-2,2-dinitroethene
Identifiers:
SMILES:
NC(N)=C([N+](=O)[O-])[N+](=O)[O-]
InChI:
InChI=1S/C2H4N4O4/c3-1(4)2(5(7)8)6(9)10/h3-4H2
Key Properties
Melting Point
238 °C (decomp)
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 | 148.08 g/mol | CAS Common Chemistry |
| 148.078 g/mol | RDKit | |
| 148.023254608 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/FOX-7 | CAS Common Chemistry |
| Canonical SMILES | O=N(=O)C(=C(N)N)N(=O)=O | CAS Common Chemistry |
| InChI | InChI=1S/C2H4N4O4/c3-1(4)2(5(7)8)6(9)10/h3-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FUHQFAMVYDIUKL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 238 °C (decomp) | CAS Common Chemistry |
| Name | 1,1-Diamino-2,2-dinitroethylene | CAS Common Chemistry |
| FOX-7 | CAS Common Chemistry | |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 138.32000000000002 Ų | RDKit |
| LogP | -1.4161999999999995 | RDKit |
| Molar Refractivity | 29.389600000000012 | RDKit |
