2,4-dinitrophenol

Synonyms: "1-hydroxy-2,4-dinitrobenzene", "aldifen", "solfo black B", "tertrosulphur PBR", "alpha-dinitrophenol", "solfo Black G", "nitro kleenup"

Source: 2,4-dinitrophenol is used in the manufacture of dyes, wood preservatives, and as a pesticide.

Identifiers:

IUPAC Name: 2,4-dinitrophenol
CAS Number: 51-28-5
PubChem ID: 1493
InChiKey: UFBJCMHMOXMLKC-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O

Structural Properties:

Molecular Formula: C₆H₄N₂O₅
Molecular Weight: 184.106

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 5
Number of atoms different from hydrogen: 13

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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

Van den Berg KJ, van Raaij JAGM, Bragt PC, Notten WRF. 1991. Interactions of halogenated industrial chemicals with transthyretin and effects on thyroid hormone levels in vivo. Arch Toxicol 65(1):15-19.