Fenchlorphos solution - analytical standard, 100ug/ml in acetone , CAS No.299-84-3

CAS: 299-84-3 Cat. No.: F114762 Formule: C₈H₈Cl₃O₃PS Poids moléculaire: 321.55 Beilstein Registry Number: 1885571 Numéro CE: 206-082-6

GRADE & PURITY Analytical standard, 100ug/ml in acetone

Synonyms

Fenchlorphos [ISO] | O-(2,4,5-Tricloro-fenil)-O,O-dimetil-monotiofosfato [Italian] | Fenclofos | NCGC00163886-02 | O-(2,4,5-Trichloor-fenyl)-O,O-dimethyl-monothiofosfaat | Ronnel (USAN) | Ronnel [ANSI] | Dermafosu | Fenclofos [INN] | Fenclos | HMS2093B20

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

Fenchlorphos [ISO] | O-(2,4,5-Tricloro-fenil)-O,O-dimetil-monotiofosfato [Italian] | Fenclofos | NCGC00163886-02 | O-(2,4,5-Trichloor-fenyl)-O,O-dimethyl-monothiofosfaat | Ronnel (USAN) | Ronnel [ANSI] | Dermafosu | Fenclofos [INN] | Fenclos | HMS2093B20

Spécifications et pureté

analytical standard, 100ug/ml in acetone

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Grade

Étalon d'analyse

Noms et identifiants

• Sourires canoniques: COP(=S)(OC)OC1=CC(=C(C=C1Cl)Cl)Cl
• IUPAC Name: dimethoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-λ5-phosphane
• InChIKey: JHJOOSLFWRRSGU-UHFFFAOYSA-N
• INCHI: 1S/C8H8Cl3O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3
• Isomères SMILES: COP(=S)(OC)OC1=CC(=C(C=C1Cl)Cl)Cl
• WGK Allemagne: 3
• RTECS: TG0525000
• Numéro ONU: 2811
• Groupe d'emballage: I
• Poids moléculaire: 321.55
• Beilstein: 1885571
• Reaxy-Rn: 1885571
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1885571&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Organic thiophosphoric acids and derivatives
      • Subclass Thiophosphoric acid esters
        • Level5 Aryl thiophosphates
          • Level6 Phenyl thiophosphates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Organic thiophosphoric acids and derivatives
• Subclass: Thiophosphoric acid esters
• Intermediate Tree Nodes: Aryl thiophosphates
• Direct Parent: Phenyl thiophosphates
• Alternative Parents: Thiophosphate triesters Phenoxy compounds Chlorobenzenes Aryl chlorides Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenyl thiophosphate - Phenoxy compound - Thiophosphate triester - Halobenzene - Chlorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenyl thiophosphates. These are organothiophosphorus compounds that contain a thiophosphoric acid O-esterified with a phenyl group.
• External Descriptors: Organophosphorus insecticides

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

Cibles associées (humaines)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cibles associées (non humaines)

Luciferin 4-monooxygenase (66902 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 321.500 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 319.9 Da
• Monoisotopic Mass: 319.9 Da
• Topological Polar Surface Area: 59.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 273.000
• 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

Références

1. Linfeng Chen, Xike Tian, Yong Li, Liqiang Lu, Yulun Nie, Yanxin Wang.  (2020)  Broad-spectrum pesticide screening by multiple cholinesterases and thiocholine sensors assembled high-throughput optical array system.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:33254811] [10.1016/j.jhazmat.2020.123830]

2. Miao Chen, Xuerong Li, Qiulan Li, Jitao Li, Yaohong Gu, Peng Yang, Bo Yang, Yaling Yang.  (2025)  Construction of phosphatase- and laccase-mimicking Cascade catalysis for ultrasensitive colorimetric detection of Profenofos.  FOOD CHEMISTRY,      [PMID:40675081] [10.1016/j.foodchem.2025.145462]