Flusilazole solution - analytical standard, 1.00mg/ml in methanol , CAS No.85509-19-9

CAS: 85509-19-9 Cat. No.: F109957 Formula: C₁₆H₁₅F₂N₃Si Molecular Weight: 315.39 Beilstein Registry Number: 5824097 EC Number: 617-717-5

GRADE & PURITY Analytical standard, 1.00mg/ml in methanol

Synonyms

DPX 6573 | NCGC00259035-01 | EPA Pesticide Chemical Code 128835 | Flusilazole [ISO] | Punch (pesticide) | Flusilazole 10 microg/mL in Acetonitrile | NCGC00164304-01 | CAS-85509-19-9 | UNII-F3WG2VVD87 | CHEBI:81922 | Olymp | DTXCID704235 | Flusilazol | Tri

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

DPX 6573 | NCGC00259035-01 | EPA Pesticide Chemical Code 128835 | Flusilazole [ISO] | Punch (pesticide) | Flusilazole 10 microg/mL in Acetonitrile | NCGC00164304-01 | CAS-85509-19-9 | UNII-F3WG2VVD87 | CHEBI:81922 | Olymp | DTXCID704235 | Flusilazol | Tri

Specifications & Purity

analytical standard, 1.00mg/ml in methanol

Storage

Protected from light,Room temperature

Shipped In

Normal

Grade

Analytical standard

Names and Identifiers

Canonical Smiles

C[Si](CN1C=NC=N1)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

IUPAC Name

bis(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane

InChIKey

FQKUGOMFVDPBIZ-UHFFFAOYSA-N

INCHI

1S/C16H15F2N3Si/c1-22(12-21-11-19-10-20-21,15-6-2-13(17)3-7-15)16-8-4-14(18)5-9-16/h2-11H,12H2,1H3

Isomeric SMILES

C[Si](CN1C=NC=N1)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

WGK Germany

3

RTECS

XZ4105000

Molecular Weight

315.39

Beilstein

5824097

Reaxy-Rn

5824097

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5824097&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Alkylarylsilanes Aryl fluorides Triazoles Heteroaromatic compounds Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkylsilanes
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Fluorobenzene - Alkylarylsilane - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - 1,2,4-triazole - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Alkylsilane - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organosilicon compound - Organic salt - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
• External Descriptors: Conazole 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)

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

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Associated Targets(non-human)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

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Oculimacula yallundae (312 Activities)

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Plenodomus lingam (178 Activities)

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Parastagonospora nodorum (325 Activities)

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Puccinia recondita (281 Activities)

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Cladosporium cucumerinum (320 Activities)

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

Discover Target: Nr1i2

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Neofusicoccum australe (78 Activities)

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Plenodomus biglobosus (26 Activities)

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Diplodia mutila (102 Activities)

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Neofusicoccum luteum (172 Activities)

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Oculimacula acuformis (31 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive.
• Melt Point(°C): 53-55°C
• Molecular Weight: 315.390 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 315.1 Da
• Monoisotopic Mass: 315.1 Da
• Topological Polar Surface Area: 30.700 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 333.000
• 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

XLogP3

Frequently Asked Questions

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, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

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 85509-19-9, the molecular formula is C16H15F2N3Si, and the molecular weight is 315.39 g/mol. InChIKey FQKUGOMFVDPBIZ-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.