Basic information
- CAS
4591-46-2- Standard SMILES
O=[N+]([O-])Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
ILAITCKMDANMOP-UHFFFAOYSA-N- Molecular formula
- C6H3N5O8
- Average molar mass
- 273.12 g/mol
- Monoisotopic mass
- 272.99816207
Names & identifiers
- Preferred name
- 2,4,6-Trinitrophenyl nitramine
- IUPAC
- N-(2,4,6-trinitrophenyl)nitramide
Names & synonyms
2,4,6-Trinitrophenyl nitramine4591-46-2DTXSID00196654RefChem:245870DTXCID40119145N,2,4,6-tetranitroaniline2,4,6-Trinitrophenyl nitramine [Forbidden]N-(2,4,6-trinitrophenyl)nitramideSCHEMBL225443
Database identifiers
- CAS
4591-46-2- PubChem CID
- 20722
- DTXSID
DTXSID00196654- Nikkaji
- J60.438K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 380
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
DOT Hazard Classification
2,4,6-Trinitrophenyl nitramine
Forbidden explosives/materials (49 eCFR § 173.54/§ 173.21)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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