4-Hydroxy-3,5-dinitrobiphenyl
Basic information
- CAS
4097-53-4- Standard SMILES
O=[N+]([O-])c1cc(-c2ccccc2)cc([N+](=O)[O-])c1O- InChIKey
TYLHNVQINZRZFJ-UHFFFAOYSA-N- Molecular formula
- C12H8N2O5
- Average molar mass
- 260.2 g/mol
- Monoisotopic mass
- 260.04332136
Names & identifiers
- Preferred name
- 4-Hydroxy-3,5-dinitrobiphenyl
- IUPAC
- 2,6-dinitro-4-phenylphenol
- English name
- 3,5-DINITRO-BIPHENYL-4-OL
- Molecular formula
- C12H8N2O5
- Molecular weight
- 260.2
Names & synonyms
4-Hydroxy-3,5-dinitrobiphenyl4097-53-42,6-dinitro-4-phenylphenol3,5-Dinitro-4-biphenylol3,5-DINITRO-BIPHENYL-4-OL4-BIPHENYLOL, 3,5-DINITRO-MLS002695315524YYF9P6QNSC-957003,5-Dinitro[1,1'-biphenyl]-4-olSMR001561221CCRIS 5770
Show more names
3,5-DINITROBIPHENYL2,6-dinitro-4-phenyl-phenol[1,1'-Biphenyl]-4-ol, 3,5-dinitro-
NSC 95700BRN 1996271NSC957003,5-dinitrobiphenyl-4-olNCIOpen2_005794UNII-524YYF9P6Q4-06-00-04615 (Beilstein Handbook Reference)cid_20043
Database identifiers
- CAS
4097-53-4- PubChem CID
- 20043
- DTXSID
DTXSID10193972- ChEMBL
CHEMBL1716414- UNII
- 524YYF9P6Q
- Nikkaji
- J599.961H
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 321
Physicochemical properties
- Melting point
- 154 · 154-155 °C
- Boiling point
- 350.3 · 350.3±42.0 °C(Predicted)
- Density
- 1.471 · 1.471±0.06 g/cm3(Predicted)
- pka
- 3.38 · 3.38±0.10(Predicted)
- FDA UNII
- 524 YYF9P6Q · 524YYF9P6Q
Chemistry & industry
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