Phenol, 4,4'-(1,4-phenylenebis(2,1-diazenediyl))bis-
Basic information
- CAS
21811-64-3- Standard SMILES
Oc1ccc(N=Nc2ccc(N=Nc3ccc(O)cc3)cc2)cc1- InChIKey
AOCDFLRLNPGEIC-UHFFFAOYSA-N- Molecular formula
- C18H14N4O2
- Average molar mass
- 318.3 g/mol
- Monoisotopic mass
- 318.1116757
Names & identifiers
- Preferred name
- Phenol, 4,4'-(1,4-phenylenebis(2,1-diazenediyl))bis-
- IUPAC
- 4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]phenol
- English name
- p,p'-[p-phenylenebis(azo)]bisphenol
- Molecular formula
- C18H14N4O2
- Molecular weight
- 318.33
Names & synonyms
EINECS 244-589-4Phenol, 4,4'-[1,4-phenylenebis(azo)]bis-4,4'-(p-Phenylenebis(azo))diphenolPhenol, 4,4'-(1,4-phenylenebis(azo))bis-Phenol, 4,4'-(1,4-phenylenebis(2,1-diazenediyl))bis-Phenol, 4,4'-[1,4-phenylenebis(2,1-diazenediyl)]bis-RefChem:86092521811-64-3C.I. Disperse Yellow 68SCHEMBL9367894SCHEMBL9367899DTXSID1066732
Show more names
C.I.21005C.I.Disperse Yellow 684,4'-(p-Phenylenebisazo)bisphenolp,p'-[p-phenylenebis(azo)]bisphenol4,4'-[1,4-Phenylenebis(azo)]bis(phenol)
AOCDFLRLNPGEIC-UHFFFAOYSA-Np,p'-(p-Phenylenebis(azo))bisphenolNS000494324,4'-[1,4-Phenylenebis(diazene-2,1-diyl)]diphenol
Database identifiers
- CAS
21811-64-3- PubChem CID
- 89067
- DTXSID
DTXSID1066732- EC Number
- 244-589-4
- Nikkaji
- J93.923D
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 379
Physicochemical properties
- Boiling point
- 575 · 575.0±45.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 8.5 · 8.50±0.15(Predicted)
- EPA Substance Registry System
- 4 · Phenol, 4,4'-[1,4-phenylenebis(azo)]bis- (21811-64-3)
- 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.
Hazard information
Regulatory Information
Chemical: Phenol, 4,4'-[1,4-phenylenebis(azo)]bis-
Hazard Traits - Bioaccumulation; Environmental Persistence
Other Safety InformationIMAP assessments - Phenol, 4,4'-[1,4-phenylenebis(azo)]bis-: Human health tier I assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 4,4'-[1,4-phenylenebis(2,1-diazenediyl)]bis-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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