2,4-dinitrotoluene

Synonyms: "1-methyl-2,4-dinitrobenzene", "2,4-dinitrotoluol", "2,4-DNT", "2,4-dinitromethylbenzene"

Source: 2,4-dinitrotoluene is an industrial compound used in the production of azo dyes, munitions and plastics.

Identifiers:

IUPAC Name: 1-methyl-2,4-dinitrobenzene
CAS Number: 121-14-2
PubChem ID: 8461
InChiKey: RMBFBMJGBANMMK-UHFFFAOYSA-N
Canonical SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Structural Properties:

Molecular Formula: C7H6N2O4
Molecular Weight: 182,1335

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 4
Number of atoms different from hydrogen: 13

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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


Bloch E, Gondos B, Gatz M, Varma SK, Thysen B. 1988. Reproductive toxicity of 2,4-dinitrotoluene in the rat. Toxicol Appl Pharmacol 94(3):466-472.

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