3-trifluoromethyl-4-nitrophenol

Synonyms: "4-nitro-3-(trifluoromethyl)phenol", "5-hydroxy-2-nitrobenzotrifluoride", "4-nitro-3-trifluoromethylphenol", "lamprecide", "lamprecid"

Source: 3-trifluoromethyl-4-nitrophenol is used to kill larval sea lampreys in their spawning tributaries.

Identifiers:

IUPAC Name: 4-nitro-3-(trifluoromethyl)phenol
CAS Number: 88-30-2
PubChem ID: 6931
InChiKey: ZEFMBAFMCSYJOO-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C=C1O)C(F)(F)F)[N+](=O)[O-]

Structural Properties:

Molecular Formula: C₇H₄F₃NO₃
Molecular Weight: 207.107

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 3
Number of atoms different from hydrogen: 14

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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

Hewitt LM, Tremblay L, Vanderkraak GJ, Solomon KR, Servos MR. 1998. Identification of the lampricide 3-trifluoromethyl-4-nitrophenol as an agonist for the rainbow trout estrogen receptor. Environ Toxicol Chem 17(3):425-432.