4-nitroaniline

Synonyms: "p-nitroaniline", "p-nitraniline", "p-aminonitrobenzene", "4-nitrobenzenamine", "4-nitraniline", "p-nitrophenylamine", "1-amino-4-nitrobenzene", "para-nitroaniline", "azoamine red ZH", "nitrazol CF extra".

Source: 4-nitroaniline is an intermediate in dye synthesis, antioxidants, pharmaceuticals, gum inhibitors and is also used as a corrosion inhibitor.

Identifiers:

IUPAC Name: 4-nitroaniline
CAS Number: 100-01-6
PubChem ID: 7475
InChiKey: TYMLOMAKGOJONV-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC=C1N)[N+](=O)[O-]

Structural Properties:

Molecular Formula: C₆H₆N₂O₂
Molecular Weight: 138.126

Pharmacophore Features:

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

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

Nair, R.S., Auletta, C.S., Schroeder, R.E. and Johannsen, F.R., 1990. Chronic toxicity, oncogenic potential, and reproductive toxicity of p-nitroaniline in rats. Toxicological Sciences, 15(3), pp.607-621. DOI: https://doi.org/10.1093/toxsci/15.3.607. URL: https://academic.oup.com/toxsci/article-abstract/15/3/607/1613628.