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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3D structure (.sdf)
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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.