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: 227.131

Pharmacophore Features:

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

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors
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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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