Fluazinam - analytical standard , CAS No.79622-59-6

CAS: 79622-59-6 Cat. No.: F114600 Molecular Weight: 465.09 Beilstein Registry Number: 4772672 EC Number: 616-712-5

GRADE & PURITY Analytical standard

Synonyms

3-Chloro-N-(3-chloro-5-trifluoromethyl-2-pyridyl)-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine | 3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2-pyridinamine | CHEBI:81843 | Fluaziname | NCGC00163725-02 | 1H-Indole

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

3-Chloro-N-(3-chloro-5-trifluoromethyl-2-pyridyl)-alpha, alpha, alpha-trifluoro-2, 6-dinitro-p-toluidine | 3-chloro-N-[3-chloro-2, 6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2-pyridinamine | CHEBI:81843 | Fluaziname | NCGC00163725-02 | 1H-Indole

Specifications & Purity

analytical standard

Storage

Room temperature

Shipped In

Normal

Grade

Analytical standard

Names and Identifiers

• Pubchem Sid: 504756086
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756086
• Canonical 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
• IUPAC Name: 3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine
• InChIKey: UZCGKGPEKUCDTF-UHFFFAOYSA-N
• 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)
• 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
• WGK Germany: 3
• Molecular Weight: 465.09
• Beilstein: 4772672
• Reaxy-Rn: 4772672
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4772672&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Trifluoromethylbenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Nitrobenzenes Aniline and substituted anilines Nitroaromatic compounds Aminopyridines and derivatives Chlorobenzenes Aryl chlorides Imidolactams Heteroaromatic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organochlorides Organofluorides Alkyl fluorides Hydrocarbon derivatives Organic zwitterions Organopnictogen compounds Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Trifluoromethylbenzene - Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Aminopyridine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyridine - Imidolactam - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Secondary amine - Organic 1,3-dipolar compound - Azacycle - Organic oxoazanium - Organic zwitterion - Organochloride - Organofluoride - Organohalogen compound - Organonitrogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
• External Descriptors: Pyridine fungicides

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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VDR Tclin Vitamin D receptor (26531 Activities)

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PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

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THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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RXRA Tclin Retinoid X receptor alpha (3637 Activities)

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AHR Tclin Aryl hydrocarbon receptor (1071 Activities)

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

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NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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HepG2 (196354 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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SNCA Tchem Alpha-synuclein (10960 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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EYA2 Tbio Eyes absent homolog 2 (5884 Activities)

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Associated Targets(non-human)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

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Rattus norvegicus (775804 Activities)

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Botrytis cinerea (4183 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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Macrophomina phaseolina (474 Activities)

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Pyricularia oryzae (1832 Activities)

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Rhizoctonia solani (2251 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)

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Podosphaera fuliginea (1057 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 115-117°C
• Molecular Weight: 465.090 g/mol
• XLogP3: 6.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 2
• Exact Mass: 463.951 Da
• Monoisotopic Mass: 463.951 Da
• Topological Polar Surface Area: 117.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 628.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Zhifeng Cai, Shulin Pang, Xinru Ma, Li Zhu, Yefan Zhang, Fang Tian, Caifeng Zhang.  (2020)  One-pot green and simple synthesis of polyvinyl pyrrolidone capped for copper nanoclusters for high selectivity sensing of fluazinam.  Micro & Nano Letters,  15  (9): (606-609).  [PMID:] [10.1049/mnl.2019.0757]

2. Jiale Yang, Chen Fan, Gang Tang, Wenbing Zhang, Hongqiang Dong, You Liang, Yanfei Wang, Mingqiang Zou, Yongsong Cao.  (2018)  Relationship between the Structure of Ionic Liquid and Its Enrichment Ability To Trace Fungicides from an Environmental Water Sample.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:30133274] [10.1021/acs.jafc.8b03244]

3. Jiayi Ma, Sheng Xiang, Yanxia Shi, Xuewen Xie, Ali Chai, Lei Li, Baoju Li, Tengfei Fan.  (2024)  Application of ultra-low-volume spray for the control of vegetable disease in greenhouse: Investigation of formulation performance and potential dermal exposure.  PEST MANAGEMENT SCIENCE,      [PMID:38314954] [10.1002/ps.7983]

4. Hongjing Shen, Baolong Wang, Chenyu Qi, Weizhen Li, Wenfeng Zhou, Haixiang Gao.  (2025)  Active targeting of Rhizoctonia solani in rice using WGA-functionalized mesoporous silica nanoparticles.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.170232]

5. Shen Zhang, Zhuo Wang.  (2026)  Peanut-derived carbon dots as a fluorescence probe for the determination of fluazinam and temperature.  DYES AND PIGMENTS,      [PMID:] [10.1016/j.dyepig.2026.113630]