Fipronil

Synonyms: fipronil, "Termidor", "Fluocyanobenpyrazole", "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile", "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-((trifluoromethyl)sulfinyl)-1h-pyrazole-3-carbonitrile", "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile"

Source: fipronil is a broad-spectrum insecticide in the phenylpyrazole chemical family.

Identifiers:

IUPAC Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile
CAS Number: 120068-37-3
PubChem ID: 3352
InChiKey: ZOCSXAVNDGMNBV-UHFFFAOYSA-N
Canonical SMILES: C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F

Structural Properties:

Molecular Formula: C₁₂H₄Cl₂F₆N₄OS
Molecular Weight: 437,100

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 11
Number of atoms different from hydrogen: 26

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Evidence Supporting This Chemical as an Emerging Contaminant

Pal, A., He, Y., Jekel, M., Reinhard, M., & Gin, K. Y. H. (2014). Emerging contaminants of public health significance as water quality indicator compounds in the urban water cycle. Environment international, 71, 46-62.

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