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

CAS: 299-84-3 Cat. No.: F114762 Formula: C₈H₈Cl₃O₃PS Molecular Weight: 321.55 Beilstein Registry Number: 1885571 EC Number: 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|O-(2,4,5-Trichloor-fenyl)-O,O-dimethyl-monothiofosfaat|Ronnel (USAN)|Ronnel [ANSI]|Dermafosu|Fenclofos [INN]|Fenclos|RONNEL|FENCLORFOS|Nanchor|O-(2,4,5-Trichloor-fenyl)-O,O-dimethyl-monothiofosfaat [Dutch]|Thiophosphate de O,4,5-trichlorophenyle)|Thiophosphate de o,o-dimethyle et de o-(2,4,5-trichlorophenyle)|Fenchlorophos|O,O-Dimethyl-O-(2,4,5-trichlorphenyl)-thionophosphat [German]|Remelt|Moor Man's Medicated Rid-Ezy|Fenchloorfos [Dutch]|O,O-Dimethyl-O-(2,4,5-trichlorphenyl)-thionophosphat|Phenchlorfos|O-(2,4,5-Trichlor-phenyl)-O,O-dimethyl-monothiophosphat [German]|Dimethyl (2,4,5-trichlorophenyl) phosphorothionate|Fenclofosum [INN-Latin]|Fenclofos (INN)|Trichlormetaphos|Fenchlorfosu|Nanker|O,4,5-trichlorophenyl) phosphorothioate|O,4,5-trichlorophenyl) thiophosphate|Trolene|Dimethyl (2,5-trichlorophenyl) phosphorothionate|Phosphorothioic acid, O,O-dimethyl O-(2,4,5-trichlorophenyl) ester|Trichlorometafos|Fenclorvur|Gesektin K|RONNEL [GREEN BOOK]|Ectoral|Nankor|O-(2,4,5-Tricloro-fenil)-O,O-dimetil-monotiofosfato|Dimethyl trichlorophenyl thiophosphate|Dermaphos|Etrolene|ET 14|Fenchlorfos|Trolen|Dermafosu [Polish]|Dow ET 57|Fenchlorfosu [Polish]|Korlane|Ronnel [USAN]|Thiophosphate de O,O-dimethyle et de O-(2,4,5-trichlorophenyle) [French]|Trichlorometaphos|Smear|Dermafos|O,O-Dimethyl O-(2,4,5-trichlorophenyl) phosphorothioate|Phenol, 2,4,5-trichloro-, O-ester with O,O-dimethylphosphorothioate|Korlan|O-(2,4,5-Trichlor-phenyl)-O,O-dimethyl-monothiophosphat|RONNEL [HSDB]|Fenchlorphos|Fenclofosum|Rovan|Troline|Dimethyl O-(2,4,5-trichlorophenyl) thiophosphate|Moorman's Medicated Rid-Ezy|Dow ET 14|Phenol, 2,4,5-trichloro-, O-ester with O,O-dimethyl phosphorothioate|RONNEL [MI]|Viozene

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Fenchlorphos [ISO] | O-(2,4,5-Tricloro-fenil)-O,O-dimetil-monotiofosfato [Italian] | Fenclofos | O-(2,4,5-Trichloor-fenyl)-O,O-dimethyl-monothiofosfaat | Ronnel (USAN) | Ronnel [ANSI] | Dermafosu | Fenclofos [INN] | Fenclos | RONNEL | FENCLORFOS | Nanchor | O-(2,4,5-Trichloor-fenyl)-O,O-dimethyl-monothiofosfaat [Dutch] | Thiophosphate de Show more

Specifications & Purity

analytical standard, 100ug/ml in acetone

Storage

Room temperature

Shipped In

Normal

Grade

Analytical standard

Names and Identifiers

Canonical Smiles

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

Isomeric SMILES

COP(=S)(OC)OC1=CC(=C(C=C1Cl)Cl)Cl

WGK Germany

3

RTECS

TG0525000

UN Number

2811

Packing Group

I

Molecular Weight

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
    • Class Organic thiophosphoric acids and derivatives
      • Subclass Thiophosphoric acid esters
        • Level5 Aryl thiophosphates
          • Level6 Phenyl thiophosphates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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

Associated Targets(Human)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

Associated Targets(non-human)

Luciferin 4-monooxygenase (66902 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 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