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: 184,1064

Pharmacophore Features:

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

Downloads

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

Search Similar molecules

Similarity from: % to %

Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

HSDB (Hazardous Substances Data Bank)

CCRIS (Chemical Carcinogenesis Research Information System)

GENE-TOX

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


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.

External Links

Keywords


2D-structure

3D-structure

Jmol viewer