trinitrotoluene

Synonyms: "2,4,6-trinitrotoluene", "trotyl", "tolite", "S-trinitrotoluol", "S-trinitrotoluene", "tritol", "sym-trinitrotoluol", "trilit", "trinitrotoluol", "TNT"

Source: trinitrotoluene is a powerful explosive.

Identifiers:

IUPAC Name: 2-methyl-1,3,5-trinitrobenzene
CAS Number: 118-96-7
PubChem ID: 8376
InChiKey: SPSSULHKWOKEEL-UHFFFAOYSA-N
Canonical SMILES: CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Structural Properties:

Molecular Formula: C7H5N3O6
Molecular Weight: 227,1311

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 6
Number of atoms different from hydrogen: 16

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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


Levine BS, Furedi EM, Gordon DE, Lish PM, Barkley JJ. 1984. Subchronic toxicity of trinitrotoluene in Fischer 344 rats. Toxicology 32(3):253-265.
Li Y, Jiang Q-G, Yao S-Q, Liu W, Tian G-J, Cui J-W. 1993. Effects of exposure to trinitrotoluene on male reproduction. Biomedical & Environmental Sciences 6(2):154-160.

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