4-hydroxyazobenzene

Synonyms: "4-(phenylazo)phenol", "p-phenylazophenol", "4-phenylazophenol"

Source: 4-hydroxyazobenzene is produced or used, primarily in the dye industry. It is also used to develop thermochromic/photochromic cosmetic compositions.

Identifiers:

IUPAC Name: 4-(phenylhydrazinylidene)cyclohexa-2,5-dien-1-one
CAS Number: 1689-82-3
PubChem ID: 5354198
InChiKey: JTSBGMZPPPULTA-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C=C1)NN=C2C=CC(=O)C=C2

Structural Properties:

Molecular Formula: C12H10N2O
Molecular Weight: 198,2206

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 3
Number of atoms different from hydrogen: 15

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

Similarity from: % to %

Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

HSDB (Hazardous Substances Data Bank)

GENE-TOX

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors


Akahori Y, Nakai M, Yamasaki K, Takatsuki M, Shimohigashi Y, Ohtaki M. 2008. Relationship between the results of in vitro receptor binding assay to human estrogen receptor alpha and in vivo uterotrophic assay: Comparative study with 65 selected chemicals. Toxicol in Vitro 22(1):225-231.

External Links

Keywords


2D-structure

3D-structure

Jmol viewer