Basic information
- CAS
87-31-0- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c2onnc2c1- InChIKey
IFYCOVMLDMKOHK-UHFFFAOYSA-N- Molecular formula
- C6H2N4O5
- Average molar mass
- 210.1 g/mol
- Monoisotopic mass
- 210.00251918
Names & identifiers
- Preferred name
- 5,7-Dinitro-1,2,3-benzoxadiazole
- IUPAC
- 5,7-dinitro-1,2,3-benzoxadiazole
Names & synonyms
5,7-Dinitro-1,2,3-benzoxadiazole87-31-0DTXSID60752791,2,3-BENZOXADIAZOLE, 5,7-DINITRO-RefChem:298893DTXCID6048549SCHEMBL29534055IFYCOVMLDMKOHK-UHFFFAOYSA-NDB-253297
Database identifiers
- CAS
87-31-0- PubChem CID
- 6882
- DTXSID
DTXSID6075279- Nikkaji
- J36.093G
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 286
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H200: (Deleted) Unstable Explosive [Danger Explosives]
P201, P202, P281, P372, P373, P380, P401, and P501 (click each P-code to see the statement)
Hazard information
Hazard Classes and CategoriesExplosives - Unstable Explosive
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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