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Molecule record

5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile

C12H4Cl2F6N4OS

437.15 g/mol

Loading structure

Molecular properties

Formula
C12H4Cl2F6N4OS
Molar mass
437.15 g·mol−1
Exact mass
435.9387 Da
9
PubChem CID
3352

Functional groups

Alkane / alkyl carbon
Alkyl halide
Aromatic ring
Aryl halide
Nitrile
Primary amine
Sulfoxide

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • (RS)-5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile
  • 120068-37-3
  • 1H-Pyrazole-3-carbonitrile, 5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-((trifluoromethyl)sulfinyl)-
  • 424-610-5
  • 5-AMINO-1-(2,6-DICHLORO-alpha,alpha,alpha-TRIFLUORO-P-TOLYL)-4-((TRIFLUOROMETHYL)SULFINYL)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-alpha,alpha,alpha-trifluoro-p-tolyl)-4-trifluoromethylsulfinylpyrazole-3-carbonitile
  • 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-trifluoromethanesulfinyl-1H-pyrazole-3-carbonitrile
Show all 24 synonyms
  • BROADLINE COMPONENT FIPRONIL
  • C12H4Cl2F6N4OS
  • CHEBI:5063
  • CHEBI:83394
  • DTXCID2014609
  • DTXSID4034609
  • FRONTLINE
  • Fipronil (ema epar: veterinary)
  • Fipronil [ISO]
  • MB 46030
  • NSC-758960
  • QGH063955F
  • RM 1601
  • RefChem:55202
  • Termidor
  • fipronil

Structure identifiers

Canonical SMILES
N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1S(=O)C(F)(F)F
Isomeric 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
InChI
InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2
InChIKey
ZOCSXAVNDGMNBV-UHFFFAOYSA-N
PubChem CID
3352

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record