Chlorpyrifos-(diethyl-d₁₀) - ≥98 atom% D,≥98% , CAS No.285138-81-0

CAS: 285138-81-0 Cat. No.: C474174 Molecular Weight: 360.65 EC Number: 635-745-6

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

Chlorpyrifos D10 (diethyl D10) 1000 microg/mL in Acetone | Phosphorothioic acid, O,O-di(ethyl-d5) O-(3,5,6-trichloro-2-pyridinyl) ester (9CI); Chlorpyrifos D10; Chlorpyrifos (diethyl-D10) | bis(1,1,2,2,2-pentadeuterioethoxy)-sulfanylidene-(3,5,6-trichloro

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Overview

Chlorpyrifos-(diethyl-d₁₀) is the deuterium labeled Chlorpyrifos. Chlorpyrifos is an organophosphate insecticide that is classified as a phosphorothionate. The oxon metabolite of Chlorpyrifos is an inhibitor of acetylcholinesterase (AChE), affecting neurological function in insects, humans, and other animals. The Chlorpyrifos oxon (CPO) metabolite is hydrolyzed by the plasma enzyme paraoxonase 1 (PON1), and susceptibility to neurotoxicity associated with CPO exposure is mitigated by PON1 overexpression.

Features: High-quality solvent for analytical applications; Improves the accuracy of structural analyses; Non-toxic and environmentally friendly; Supports a variety of research applications.

Benefits: Ensures high-quality results in analytical experiments; Increases the reliability of data obtained; Facilitates the understanding of complex interactions; Supports the development of effective therapies.

Specifications

Synonyms

Chlorpyrifos D10 (diethyl D10) 1000 microg/mL in Acetone | Phosphorothioic acid, O, O-di(ethyl-d5) O-(3, 5, 6-trichloro-2-pyridinyl) ester (9CI); Chlorpyrifos D10; Chlorpyrifos (diethyl-D10) | bis(1, 1, 2, 2, 2-pentadeuterioethoxy)-sulfanylidene-(3, 5, 6-trichloro

Specifications & Purity

≥98 atom% D, ≥98%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Action Type

INHIBITOR

Purity

≥98 atom% D, ≥98%

Names and Identifiers

• Canonical Smiles: CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl
• IUPAC Name: bis(1,1,2,2,2-pentadeuterioethoxy)-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxy-λ5-phosphane
• InChIKey: SBPBAQFWLVIOKP-MWUKXHIBSA-N
• INCHI: 1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3/i1D3,2D3,3D2,4D2
• Isomeric SMILES: [2H]C([2H])([2H])C([2H])([2H])OP(=S)(OC1=NC(=C(C=C1Cl)Cl)Cl)OC([2H])([2H])C([2H])([2H])[2H]
• Alternate CAS: 2921-88-2（unlabelled）
• Molecular Weight: 360.65
• Reaxy-Rn: 1545756
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1545756&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic thiophosphoric acids and derivatives
• Subclass: Thiophosphoric acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl thiophosphates
• Alternative Parents: Thiophosphate triesters Polyhalopyridines 2-halopyridines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl thiophosphate - Thiophosphate triester - Polyhalopyridine - 2-halopyridine - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl thiophosphates. 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 aryl 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

Chemical and Physical Properties

• Solubility: Solubility：H2O；DMSO
• Sensitivity: Light sensitive；Moisture sensitive
• Melt Point(°C): 38-39 °C (lit.)
• Molecular Weight: 360.600 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 358.989 Da
• Monoisotopic Mass: 358.989 Da
• Topological Polar Surface Area: 72.700 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 303.000
• Isotope Atom Count: 10
• 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