4,4'-Dihydroxyazobenzene
Basic information
- CAS
2050-16-0- Standard SMILES
Oc1ccc(N=Nc2ccc(O)cc2)cc1- InChIKey
WKODVHZBYIBMOC-BUHFOSPRSA-N- Molecular formula
- C12H10N2O2
- Average molar mass
- 214.22 g/mol
- Monoisotopic mass
- 214.07422757
Overview
isolated from fungus Agaricus xanthodermus; structure given in first source
Names & identifiers
- Preferred name
- 4,4'-Dihydroxyazobenzene
- IUPAC
- 4-[(4-hydroxyphenyl)diazenyl]phenol
- English name
- 4,4'-azobis(phenol)
- Molecular formula
- C12H10N2O2
- Molecular weight
- 214.22
Names & synonyms
4,4'-Dihydroxyazobenzene4,4'-Azodiphenol51437-66-24,4'-Azobis(phenol)trans-4,4'-AzodiphenolPhenol, 4,4'-(1,2-diazenediyl)bis-p-AzophenolPhenol, 4,4'-azobis-p,p'-DihydroxyazobenzenePhenol, 4,4'-azodiF4YLC7I7DN4-(4-Hydroxyphenylazo)phenol
Show more names
4,4'-(Diazene-1,2-diyl)diphenolDK7459Cabotinib-001Phenol,4,4'-azobisAzobenzene-4,4'-diolPhenacetin Impurity 10
NSC-402595Phenol, 4,4'-(1E)-1,2-diazenediylbis-NSC 402595AI3-08894RefChem:506652622-644-72050-16-0(e)-4,4'-(diazene-1,2-diyl)diphenol
Database identifiers
- CAS
2050-16-0、51437-66-2- PubChem CID
- 101245
- ChEMBL
CHEMBL116175- UNII
- F4YLC7I7DN
- EC Number
- 622-644-7
- Nikkaji
- J7.865D
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Melting point
- 204 °C · 204 °C
- Boiling point
- 449.7 · 449.7±30.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 8.53 · 8.53±0.15(Predicted)
- Appearance
- Yellow to brown Solid
- λmax
- 360 nm · 360nm(EtOH)(lit.)
- InChI
- InChI=1S/C12H10N2O2/c15-11-5-1-9(2-6-11)13-14-10-3-7-12(16)8-4-10/h1-8,15-16H
- InChIKey
- WKODVHZBYIBMOC-BUHFOSPRSA-N
- SMILES
- N(C1=CC=C(O)C=C1)=NC1=CC=C(O)C=C1
- FDA UNII
- 4 YLC7I7DN · F4YLC7I7DN
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P304+P340, P305+P351+P338, P330, P337+P317, P342+P316, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- hs_code
- 2927000090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
2 records
Compound notes
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