Flufiprole - ≥95% , CAS No.704886-18-0

CAS: 704886-18-0 Cat. No.: F1004274 Formula: C₁₆H₁₀Cl₂F₆N₄OS Peso molecolare: 491.24 PubChem CID: 56841657

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Tipo di azione

INHIBITOR

Purezza

≥95%

Nomi e identificatori

• Sorrisi canonici: CC(=C)CNC1=C(C(=NN1C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)C#N)S(=O)C(F)(F)F
• IUPAC Name: 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(2-methylprop-2-enylamino)-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile
• InChIKey: HVQHXBNMBZJPLK-UHFFFAOYSA-N
• INCHI: 1S/C16H10Cl2F6N4OS/c1-7(2)6-26-14-13(30(29)16(22,23)24)11(5-25)27-28(14)12-9(17)3-8(4-10(12)18)15(19,20)21/h3-4,26H,1,6H2,2H3
• Isomeri SMILES: CC(=C)CNC1=C(C(=NN1C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)C#N)S(=O)C(F)(F)F
• PubChem CID: 56841657
• Peso molecolare: 491.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Trifluoromethylbenzenes Dichlorobenzenes Aryl chlorides Heteroaromatic compounds Trihalomethanes Sulfoxides Sulfinyl compounds Nitriles Azacyclic compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Amines Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpyrazole - Trifluoromethylbenzene - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Sulfoxide - Trihalomethane - Azacycle - Sulfinyl compound - Carbonitrile - Nitrile - Alkyl fluoride - Organofluoride - Organochloride - Organohalogen compound - Organonitrogen compound - Organosulfur compound - Halomethane - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
• External Descriptors: Not available

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

Proprietà chimiche e fisiche

• Peso molecolare: 491.200 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 5
• Exact Mass: 489.986 Da
• Monoisotopic Mass: 489.986 Da
• Topological Polar Surface Area: 89.900 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 715.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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 ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 704886-18-0, the molecular formula is C16H10Cl2F6N4OS, and the molecular weight is 491.24 g/mol. InChIKey HVQHXBNMBZJPLK-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.