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Molecule record

3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine

C13H4Cl2F6N4O4

465.09 g/mol

Loading structure

Molecular properties

Formula
C13H4Cl2F6N4O4
Molar mass
465.09 g·mol−1
Exact mass
463.9514 Da
10
PubChem CID
91731

Functional groups

Alkane / alkyl carbon
Alkyl halide
Aromatic ring
Aryl halide
Nitro compound
Secondary amine

Physical properties

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

Common names and synonyms

  • 0P91PCK33Q
  • 2-Pyridinamine, 3-chloro-N-(3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-
  • 3-Chloro-N-(3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-2-pyridinamine
  • 3-Chloro-N-(3-chloro-2,6-dinitro-4-trifluoromethylphenyl)-5-trifluoromethyl-2-pyridylamine
  • 3-Chloro-N-(3-chloro-5-trifluoromethyl-2-pyridyl)-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine
  • 616-712-5
  • 79622-59-6
  • ASC 66825
Show all 24 synonyms
  • ASC 67178
  • CHEBI:81843
  • DTXCID5012551
  • DTXSID7032551
  • Fluazinam
  • Fluazinam [ISO]
  • Frowncide
  • ICI-A-192
  • IKF 1216
  • MFCD00214168
  • N-(3-Chloro-5-trifluoromethyl-2-pyridyl)-2,6-dinitro-3-chloro-4-trifluoromethylaniline
  • PP 192
  • RefChem:921677
  • Shirlan
  • Shirlan (Zeneca)
  • Shirlan Flow

Structure identifiers

Canonical SMILES
O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Nc1ncc(C(F)(F)F)cc1Cl
Isomeric SMILES
C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F
InChI
InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)
InChIKey
UZCGKGPEKUCDTF-UHFFFAOYSA-N
PubChem CID
91731

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 3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine; 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