Back to Search
Tetranitromethane
CAS: 509-14-8 | CN4O8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
509-14-8
Molecular Formula:
CN4O8
Molecular Mass:
196.03 g/mol
Names and Synonyms:
Tetranitromethane
Methane, tetranitro-
Tetranitromethane
TNM
NSC 16146
Identifiers:
SMILES:
O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
InChI:
InChI=1S/CN4O8/c6-2(7)1(3(8)9,4(10)11)5(12)13
Key Properties
Boiling Point
0 °C @ Press: 1.9 Torr
CAS Common Chemistry
Melting Point
13.8 °C
CAS Common Chemistry
Density
1.62 g/cm³
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 | 196.03 g/mol | CAS Common Chemistry |
| 196.031 g/mol | RDKit | |
| 195.97161296000002 g/mol | RDKit | |
| Density | 1.62 g/cm³ | CAS Common Chemistry |
| 1.6229 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetranitromethane | CAS Common Chemistry |
| Boiling Point | 0 °C @ Press: 1.9 Torr | CAS Common Chemistry |
| Canonical SMILES | O=N(=O)C(N(=O)=O)(N(=O)=O)N(=O)=O | CAS Common Chemistry |
| InChI | InChI=1S/CN4O8/c6-2(7)1(3(8)9,4(10)11)5(12)13 | CAS Common Chemistry |
| InChI Key | InChIKey=NYTOUQBROMCLBJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 13.8 °C | CAS Common Chemistry |
| Name | Tetranitromethane | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 172.56 Ų | RDKit |
| LogP | -1.2954999999999997 | RDKit |
| Molar Refractivity | 30.708600000000008 | RDKit |
