Basic information
- CAS
4824-72-0- Standard SMILES
O=[N+]([O-])c1c(Cl)c(Cl)c(O)c(Cl)c1Cl- InChIKey
KTOJSFDUFPFOBF-UHFFFAOYSA-N- Molecular formula
- C6HCl4NO3
- Average molar mass
- 276.9 g/mol
- Monoisotopic mass
- 274.871054
Names & identifiers
- Preferred name
- 4-Nitro-2,3,5,6-tetrachlorophenol
- IUPAC
- 2,3,5,6-tetrachloro-4-nitrophenol
- English name
- 4-Nitro-2,3,5,6-tetrachlorophenol
- Molecular formula
- C6HCl4NO3
- Molecular weight
- 276.89
Names & synonyms
4-NITRO-2,3,5,6-TETRACHLOROPHENOL4824-72-0Tetrachloro-4-nitrophenol2,3,5,6-tetrachloro-4-nitrophenolPhenol,3,5,6-tetrachloro-4-nitro-NSC57906Phenol, 2,3,5,6-tetrachloro-4-nitro-NCIOpen2_002408NCIOpen2_002448SCHEMBL9219776DTXSID80197467NSC57905
Show more names
NSC 57905NSC 57906NSC-57905NSC-57906NSC407822NSC 407822NSC-407822DS-015332
Database identifiers
- CAS
4824-72-0- PubChem CID
- 20964
- DTXSID
DTXSID80197467- Nikkaji
- J1.554.439B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Melting point
- 148 · 148-149 °C (decomp)
- Boiling point
- 339.2 · 339.2±42.0 °C(Predicted)
- Density
- 1.877 · 1.877±0.06 g/cm3(Predicted)
- pka
- 2.16 · 2.16±0.49(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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