2,3,4,6-Tetranitrophenol
Basic information
- CAS
641-16-7- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c1O- InChIKey
PXPBDJVBNWDUFM-UHFFFAOYSA-N- Molecular formula
- C6H2N4O9
- Average molar mass
- 274.1 g/mol
- Monoisotopic mass
- 273.98217765
Names & identifiers
- Preferred name
- 2,3,4,6-Tetranitrophenol
- IUPAC
- 2,3,4,6-tetranitrophenol
Names & synonyms
2,3,4,6-TETRANITROPHENOL641-16-7Phenol, 2,3,4,6-tetranitro-tetranitrocarbazole2,3,4,6-Tetranitrophenol [Forbidden]SCHEMBL4973651Phenol, 2,3,4,6-tetranitroDTXSID90982609NCGC00164504-01NS00124550ST50979873
Database identifiers
- CAS
641-16-7- PubChem CID
- 61190
- DTXSID
DTXSID90982609- Nikkaji
- J134.553B
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 204 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 416
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
2,3,4,6-Tetranitrophenol
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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