Dichlorvos-d6 - ≥98 atom% D,≥95% , CAS No.203645-53-8

CAS: 203645-53-8 Cat. No.: D334809 Molecular Weight: 227.01 EC Number: 110-333-4

GRADE & PURITY ≥98 atom% D,≥95%

Synonyms

Phosphoric Acid 2,2-Dichloroethenyl Dimethyl Ester-d6 | Dichlorvos-(dimethyl-d6) | DTXSID40661917 | F90757 | Phosphoric acid, 2,2-dichloroethenyl di(methyl-d3) ester; 2,2-Dichloroethenyl di(methyl-d3) phosphate; Dichlorvos D6 (dimethyl D6); Dichlorvos-d6

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product Describtion:

Dichlorvos-d6 is an anthelmintic, insecticide, and cholinesterase inhibitor.

Product Application:

Dichlorvos-d6 is a deuterated analogue of Dichlorvos a Cholinesterase inhibitor. Anthelmintic, insecticide. Used as a standard for Pesticide detection. Also used in Cannabis testing.

Specifications

Synonyms

Phosphoric Acid 2, 2-Dichloroethenyl Dimethyl Ester-d6 | Dichlorvos-(dimethyl-d6) | DTXSID40661917 | F90757 | Phosphoric acid, 2, 2-dichloroethenyl di(methyl-d3) ester; 2, 2-Dichloroethenyl di(methyl-d3) phosphate; Dichlorvos D6 (dimethyl D6); Dichlorvos-d6

Specifications & Purity

≥98 atom% D, ≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98 atom% D, ≥95%

Names and Identifiers

• Canonical Smiles: COP(=O)(OC)OC=C(Cl)Cl
• IUPAC Name: 2,2-dichloroethenyl bis(trideuteriomethyl) phosphate
• InChIKey: OEBRKCOSUFCWJD-WFGJKAKNSA-N
• INCHI: 1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3/i1D3,2D3
• Isomeric SMILES: [2H]C([2H])([2H])OP(=O)(OC=C(Cl)Cl)OC([2H])([2H])[2H]
• Molecular Weight: 227.01
• Reaxy-Rn: 1709141
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1709141&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Level5 Alkyl phosphates
          • Level6 Dialkyl phosphates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Alkyl phosphates
• Direct Parent: Dialkyl phosphates
• Alternative Parents: Vinyl chlorides Chloroalkenes Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl phosphate - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly two alkyl chain.
• 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

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Sensitivity: Hygroscopic
• Molecular Weight: 227.010 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 225.984 Da
• Monoisotopic Mass: 225.984 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 181.000
• Isotope Atom Count: 6
• 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