4-nitrophenol

Synonyms: "p-nitrophenol", "niphen", "4-hydroxynitrobenzene", "paranitrophenol", "p-hydroxynitrobenzene"

Source: 4-nitrophenol is used to manufacture drugs, fungicides, insecticides, and dyes and to darken leather.

Identifiers:

IUPAC Name: 4-nitrophenol
CAS Number: 100-02-7
PubChem ID: 980
InChiKey: BTJIUGUIPKRLHP-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])O

Structural Properties:

Molecular Formula: C₆H₅NO₃
Molecular Weight: 139.109

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 3
Number of atoms different from hydrogen: 10

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

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

Li C, Taneda S, Suzuki AK, Furuta C, Watanabe G, Taya K. 2006. Estrogenic and anti-androgenic activities of 4-nitrophenol in diesel exhaust particles. Toxicol Appl Pharmacol 217(1):1-6.

Li X, Li C, Suzuki AK, Taneda S, Watanabe G, Taya K. 2009. 4-Nitrophenol isolated from diesel exhaust particles disrupts regulation of reproductive hormones in immature male rats. Endocrine 36(1):98-102.

Mi Y, Zhang C, Li CM, Taneda S, Watanabe G, Suzuki AK, Taya K. 2010. Protective effect of quercetin on the reproductive toxicity of 4-nitrophenol in diesel exhaust particles on male embryonic chickens. J Reprod Dev 56(2):195-199.