O-Methyl Phosphorodichloridothioate - ≥98% , CAS No.2523-94-6

CAS: 2523-94-6 Cat. No.: O770763 Peso molecular: 164.98 PubChem CID: 17303

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Descripción general

O-methyl phosphoramidothioate dichloride (referred to as methyl dichloride) can be used for the synthesis of a series of organophosphorus pesticides, such as phosphoramidothioate insecticides hydramid phosphoramidothion, methamidophos, aminopyralid, organophosphorus heterocyclic insecticides vetiver phosphorus (salicylphosphoramidothion), herbicides methylamidophos, etc.; can also be obtained by isomerization of methamidophos, methamidophos acetate, intermediate S-methyl phosphoramidothioate dichloride; can be further alkoxylated It can also be further alkoxylated to obtain another important intermediate “methyl chloride”.

Specifications

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: COP(=S)(Cl)Cl
• IUPAC Name: dichloro-methoxy-sulfanylidene-λ5-phosphane
• InChIKey: BJTWJPDCJVKDBK-UHFFFAOYSA-N
• INCHI: 1S/CH3Cl2OPS/c1-4-5(2,3)6/h1H3
• Isómeros SMILES: COP(=S)(Cl)Cl
• PubChem CID: 17303
• Peso molecular: 164.98

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic thiophosphoric acids and derivatives
      • Subclass Thiophosphoric acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic thiophosphoric acids and derivatives
• Subclass: Thiophosphoric acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiophosphoric acid esters
• Alternative Parents: Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Thiophosphoric acid ester - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thiophosphoric acid esters. These are organic compounds containing the thiophosphoric acid functional group or a derivative thereof, with the general structure ROP(OR')(OR'')=S, where at least one R-group is an organyl 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

Propiedades químicas y físicas

• Peso molecular: 164.980 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 163.902 Da
• Monoisotopic Mass: 163.902 Da
• Topological Polar Surface Area: 41.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 77.600
• 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