Fipronil amide - ≥95% , CAS No.205650-69-7

CAS: 205650-69-7 Cat. No.: F1326262 Formule: C₁₂H₆Cl₂F₆N₄O₂S Poids moléculaire: 455.16 Numéro CE: 109-907-7 PubChem CID: 9933690

QUALITÉ & PURETÉ ≥95%

Storage

Room temperature

Shipped In

Normal

Spécifications

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

Sourires canoniques

C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C(=O)N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F

IUPAC Name

5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carboxamide

InChIKey

OPPWTDFHAFPGOT-UHFFFAOYSA-N

INCHI

1S/C12H6Cl2F6N4O2S/c13-4-1-3(11(15,16)17)2-5(14)7(4)24-9(21)8(6(23-24)10(22)25)27(26)12(18,19)20/h1-2H,21H2,(H2,22,25)

Isomères SMILES

C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C(=O)N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F

PubChem CID

9933690

Poids moléculaire

455.16

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 2-heteroaryl carboxamides Dichlorobenzenes Pyrazole-5-carboxamides Aryl chlorides Heteroaromatic compounds Amino acids and derivatives Primary carboxylic acid amides Sulfoxides Trihalomethanes Azacyclic compounds Sulfinyl compounds Primary amines Organopnictogen compounds Organooxygen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpyrazole - Trifluoromethylbenzene - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - 1,3-dichlorobenzene - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Trihalomethane - Carboxamide group - Sulfoxide - Primary carboxylic acid amide - Carboxylic acid derivative - Sulfinyl compound - Azacycle - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Hydrocarbon derivative - Halomethane - 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 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

Propriétés chimiques et physiques

• Poids moléculaire: 455.200 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 3
• Exact Mass: 453.949 Da
• Monoisotopic Mass: 453.949 Da
• Topological Polar Surface Area: 123.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 597.000
• 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