Diazinon-(diethyl-d₁₀) - ≥99 atom% D,≥98% , CAS No.100155-47-3

CAS: 100155-47-3 Cat. No.: D465469 Molecular Weight: 314.41 EC Number: 682-921-3

GRADE & PURITY ≥99 atom% D,≥98%

Synonyms

Phosphorothioic acid, O,O-di(ethyl-1,1,2,2,2-d5) O-[6-methyl-2-(1-methylethyl)-4-pyrimidinyl] ester; Phosphorothioic acid, O,O-di(ethyl-d5) O-[6-methyl-2-(1-methylethyl)-4-pyrimidinyl] ester (9CI); O,O-Di(ethyl-1,1,2,2,2-d5) O-[6-methyl-2-(1-methylethyl)-

Storage

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

Shipped In

Wet ice

Overview

Description

Diazinon-(diethyl-d10) has been usedIn analytical methods for routine monitoring of residual pesticide.As an internal standard in GC–MS quantification of pesticides in food.

Specifications

Synonyms

Phosphorothioic acid, O, O-di(ethyl-1, 1, 2, 2, 2-d5) O-[6-methyl-2-(1-methylethyl)-4-pyrimidinyl] ester; Phosphorothioic acid, O, O-di(ethyl-d5) O-[6-methyl-2-(1-methylethyl)-4-pyrimidinyl] ester (9CI); O, O-Di(ethyl-1, 1, 2, 2, 2-d5) O-[6-methyl-2-(1-methylethyl)-

Specifications & Purity

≥99 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.

Purity

≥99 atom% D, ≥98%

Names and Identifiers

• Canonical Smiles: CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C
• IUPAC Name: (6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-bis(1,1,2,2,2-pentadeuterioethoxy)-sulfanylidene-λ5-phosphane
• InChIKey: FHIVAFMUCKRCQO-HXOHQZFQSA-N
• INCHI: 1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3/i1D3,2D3,6D2,7D2
• Isomeric SMILES: [2H]C([2H])([2H])C([2H])([2H])OP(=S)(OC1=NC(=NC(=C1)C)C(C)C)OC([2H])([2H])C([2H])([2H])[2H]
• Molecular Weight: 314.41
• Reaxy-Rn: 273790
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=273790&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 Pyrimidinyl phosphorothioates

• 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: Pyrimidinyl phosphorothioates
• Alternative Parents: Thiophosphate triesters Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidinyl phosphorothioate - Thiophosphate triester - Pyrimidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrimidinyl phosphorothioates. These are organic compounds containing the thiophosphoric acid functional group or a derivative thereof, with the general structure ROP(OR')(OR'')=S, where R= pyrimidine, R' = organyl group , and R\" = any atom.
• 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

• Sensitivity: Light sensitive
• Refractive Index: n20/D 1.4978 (lit.)
• Boil Point(°C): 83-84 °C/0.002 mmHg (lit.)
• Molecular Weight: 314.410 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 314.164 Da
• Monoisotopic Mass: 314.164 Da
• Topological Polar Surface Area: 85.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 307.000
• 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