Basic information
- CAS
13014-91-0- Standard SMILES
Oc1c(N=Nc2ccccc2)cc(N=Nc2ccccc2)cc1N=Nc1ccccc1- InChIKey
IEQLZGDCMJYXKN-UHFFFAOYSA-N- Molecular formula
- C24H18N6O
- Average molar mass
- 406.4 g/mol
- Monoisotopic mass
- 406.15420922
Names & identifiers
- Preferred name
- Phenol, 2,4,6-tris(2-phenyldiazenyl)-
- IUPAC
- 2,4,6-tris(phenyldiazenyl)phenol
- English name
- 2,4,6-Tris(phenylazo)phenol
- Molecular formula
- C24H18N6O
- Molecular weight
- 406.44
Names & synonyms
Phenol, 2,4,6-tris(2-phenyldiazenyl)-RefChem:860719Phenol, 2,4,6-tris(phenylazo)-13014-91-02,4,6-tris(phenyldiazenyl)phenolDTXSID30653222,4,6-tris(benzeneazo)-phenolIEQLZGDCMJYXKN-UHFFFAOYSA-N2-(Phenyldiazenyl)-4,6-bis(phenyldiazenyl)phenol2,4,6-Tris(phenylazo)phenol
Database identifiers
- CAS
13014-91-0- PubChem CID
- 83047
- DTXSID
DTXSID3065322- Nikkaji
- J414.454F
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 94.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 567
Physicochemical properties
- Melting point
- 223 °C · 223 °C
- Boiling point
- 637.1 · 637.1±55.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 7.63 · 7.63±0.23(Predicted)
- EPA Substance Registry System
- 2 · Phenol, 2,4,6-tris(phenylazo)- (13014-91-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 2,4,6-tris(2-phenyldiazenyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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