Basic information
- CAS
4867-02-1- Standard SMILES
Oc1ccc(N=Nc2ccccc2O)c(O)c1- InChIKey
UYZDJWAAXREYDP-UHFFFAOYSA-N- Molecular formula
- C12H10N2O3
- Average molar mass
- 230.22 g/mol
- Monoisotopic mass
- 230.06914219
Names & identifiers
- Preferred name
- 2,2',4'-Trihydroxyazobenzene
- IUPAC
- 4-[(2-hydroxyphenyl)diazenyl]benzene-1,3-diol
- English name
- 4-[(2-Hydroxyphenyl)azo]-1,3-benzenediol
- Molecular formula
- C12H10N2O3
- Molecular weight
- 230.22
Names & synonyms
4867-02-1RefChem:1972452,2',4'-Trihydroxyazobenzene1,3-Benzenediol, 4-[(2-hydroxyphenyl)azo]-3GUS7Z3JMJ4-((2-Hydroxyphenyl)azo)resorcinol1,3-Benzenediol, 4-((2-hydroxyphenyl)azo)-1,3-Benzenediol, 4-(2-(2-hydroxyphenyl)diazenyl)-EINECS 225-474-8UNII-3GUS7Z3JMJorb2646894SCHEMBL4539788
Show more names
4-[(2-Hydroxyphenyl)azo]-1,3-benzenediol
SCHEMBL4539790DTXSID2063632UYZDJWAAXREYDP-UHFFFAOYSA-N4-(2-hydroxyphenylazo )resorcinol1,3-Benzenediol, 4-(2-hydroxyphenylazo)-DB-267451NS000456734-[(2-Hydroxyphenyl)diazenyl]benzene-1,3-diol
Database identifiers
- CAS
4867-02-1- PubChem CID
- 78583
- DTXSID
DTXSID2063632- UNII
- 3GUS7Z3JMJ
- EC Number
- 225-474-8
- Nikkaji
- J262.504K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 85.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Melting point
- 136 · 136-138 °C
- Boiling point
- 463.967 · 463.967±28.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.354 · 1.354±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.08 · 6.08(Temp: 25 °C)
- FDA UNII
- 3 GUS7Z3JMJ · 3GUS7Z3JMJ
- EPA Substance Registry System
- 1 · 1,3-Benzenediol, 4-[(2-hydroxyphenyl)azo]- (4867-02-1)
- 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 Information1,3-Benzenediol, 4-[2-(2-hydroxyphenyl)diazenyl]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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