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.


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

Structural Properties:

Molecular Formula: C6H5NO3
Molecular Weight: 139,1088

Pharmacophore Features:

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


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

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

HSDB (Hazardous Substances Data Bank)

CCRIS (Chemical Carcinogenesis Research Information System)


CTD (Comparative Toxicogenomics Database)

IRIS (Integrated Risk Information System)

ITER (International Toxicity Estimates for Risk)

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.

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