Products 120068-36-2

CAS 120068-36-2 appears in our catalog under these names: Fipronil Sulfone, Fipronil Sulfone, >95% (HPLC), Fipronil-sulfone, Fipronil-sulfone 10 µg/mL in Acetonitrile, Fipronil-sulfone 100 µg/mL in Acetonitrile. Offered by: Chemat Brand, TRC, Dr. Ehrenstorfer, GLPBio, Sigma-Aldrich. Available pack sizes: on request, 100mg, 1g, 50mg, 10ml, 1ml, 10mg, 25mg.

Structural formula: {0} (CAS {1})

Fipronil-sulfone is a member of the class of pyrazoles that is 1H-pyrazole that is substituted at positions 1, 3, 4, and 5 by 2,6-dichloro-4-(trifluoromethyl)phenyl, cyano, (trifluoromethyl)sulfonyl, and amino groups, respectively. It is a metabolite of the agrochemical fipronil. It has a role as a marine xenobiotic metabolite. It is a nitrile, a dichlorobenzene, a member of pyrazoles, a sulfone and a member of (trifluoromethyl)benzenes.

Source: ChEBI

Identity
Molecular formulaC12H4Cl2F6N4O2S
Molecular weight453.1 g/mol
IUPAC name5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfonyl)pyrazole-3-carbonitrile
InChIKeyLGHZJDKSVUTELU-UHFFFAOYSA-N
SMILESC1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)(=O)C(F)(F)F)N)Cl)C(F)(F)F

Computed by PubChem (NCBI)