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: 198.221

Pharmacophore Features:

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

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