1,1,1,4-Tetranitrobutane
Basic information
- CAS
20919-96-4- Standard SMILES
O=[N+]([O-])CCCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]- InChIKey
GKHIAGMOLQBUBL-UHFFFAOYSA-N- Molecular formula
- C4H6N4O8
- Average molar mass
- 238.11 g/mol
- Monoisotopic mass
- 238.01856316
Names & identifiers
- Preferred name
- 1,1,1,4-Tetranitrobutane
- IUPAC
- 1,1,1,4-tetranitrobutane
- English name
- 1,1,1,4-Tetranitrobutane
- Molecular formula
- C4H6N4O8
- Molecular weight
- 238.11
Names & synonyms
1,1,1,4-Tetranitrobutane20919-96-4DTXSID70175077RefChem:212914DTXCID2097568Butane, 1,1,1,4-tetranitro-
Database identifiers
- CAS
20919-96-4- PubChem CID
- 140776
- DTXSID
DTXSID70175077
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Boiling point
- 288.7 · 288.7±40.0 °C(Predicted)
- Density
- 1.633 · 1.633±0.06 g/cm3(Predicted)
- pka
- 8.01 · 8.01±0.29(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…