Fluquinconazole - analytical standard, ≥97.5% , CAS No.136426-54-5

CAS: 136426-54-5 Cat. No.: F118341 Formula: C₁₆H₈Cl₂FN₅O Peso molecolare: 376.17 Numero EC: 411-960-9

GRADE & PURITY Analytical standard, ≥97.5%

Synonyms

DTXSID5057965 | Pesticide6_Fluquinconazole_C16H8Cl2FN5O_4(3H)-Quinazolinone, 3-(2,4-dichlorophenyl)-6-fluoro-2-(1H-1,2,4-triazol-1-yl)- | VISTA | 3-chlorobenzo[b]thiophen-2-carbonyl chloride | IJJVMEJXYNJXOJ-UHFFFAOYSA-N | J-006843 | Fluquinconazole [ISO]

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

DTXSID5057965 | Pesticide6_Fluquinconazole_C16H8Cl2FN5O_4(3H)-Quinazolinone, 3-(2,4-dichlorophenyl)-6-fluoro-2-(1H-1,2,4-triazol-1-yl)- | VISTA | 3-chlorobenzo[b]thiophen-2-carbonyl chloride | IJJVMEJXYNJXOJ-UHFFFAOYSA-N | J-006843 | Fluquinconazole [ISO]

Specifiche e purezza

analytical standard, ≥97.5%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Grado

Standard analitico

Purezza

≥97.5%

Nomi e identificatori

Sorrisi canonici

C1=CC2=C(C=C1F)C(=O)N(C(=N2)N3C=NC=N3)C4=C(C=C(C=C4)Cl)Cl

IUPAC Name

3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one

InChIKey

IJJVMEJXYNJXOJ-UHFFFAOYSA-N

INCHI

1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H

Isomeri SMILES

C1=CC2=C(C=C1F)C(=O)N(C(=N2)N3C=NC=N3)C4=C(C=C(C=C4)Cl)Cl

WGK Germania

3

Numero UN

2811

Peso molecolare

376.17

Reaxy-Rn

11158677

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11158677&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazanaphthalenes
      • Subclass Benzodiazines
        • Level5 Quinazolines
          • Level6 Quinazolinamines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Quinazolines
• Direct Parent: Quinazolinamines
• Alternative Parents: Dichlorobenzenes Pyrimidones Aryl fluorides Aryl chlorides Triazoles Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazolinamine - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Pyrimidone - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Azole - 1,2,4-triazole - Heteroaromatic compound - Lactam - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
• External Descriptors: organofluorine compound - dichlorobenzene - quinazolines - triazoles - triazole fungicide - conazole fungicide

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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 376.200 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 375.009 Da
• Monoisotopic Mass: 375.009 Da
• Topological Polar Surface Area: 63.400 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 565.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97.5% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What does analytical standard mean?

analytical standard is a defined analytical purity tier suitable for quantitative analytical methods. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. analytical standard is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 136426-54-5, the molecular formula is C16H8Cl2FN5O, and the molecular weight is 376.17 g/mol. InChIKey IJJVMEJXYNJXOJ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.