2-methyl-4-nitrophenol

Synonyms: "4-nitro-o-cresol", "2-hydroxy-5-nitrotoluene", "p-nitro-o-cresol", "2-methyl-4-nitro-phenol", "4-nitro-2-methylphenol", "2-methyl-4-nitrophenol (4-Nitro-o-cresol)".

Source: 2-methyl-4-nitrophenol is a chemical intermediate used in organic synthesis.

Identifiers:

IUPAC Name: 2-methyl-4-nitrophenol
CAS Number: 99-53-6
PubChem ID: 7442
InChiKey: KDQPMQNHVQVVMR-UHFFFAOYSA-N
Canonical SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])O

Structural Properties:

Molecular Formula: C₇H₇NO₃
Molecular Weight: 153.137

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 3
Number of atoms different from hydrogen: 11

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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

Taneda S, Mori Y, Kamata K, Hayashi H, Furuta C , Li C, Seki K, Sakushima A, Yoshino S, Yamaki K , Watanabe G, Taya K, Suzuki AK. 2004. Estrogenic and anti-androgenic activity of nitrophenols in diesel exhaust particles (DEP). Biol Pharm Bull 27(6):835-837. DOI: 10.1248/bpb.27.835. URL: https://www.jstage.jst.go.jp/article/bpb/27/6/27_6_835/_article.