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

CAS: 100155-47-3 Cat. No.: D465469 Summenformel: C₁₂H₁₁D₁₀N₂O₃PS Molekulargewicht: 314.41 EG-Nummer: 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

Übersicht

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

Synonyme

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)-

Spezifikationen & Reinheit

≥99 atom% D,≥98%

Storage

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

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥99 atom% D,≥98%

Namen und Kennungen

• Kanonisches Lächeln: 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
• Isomere 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]
• Molekulargewicht: 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
    • Klasse Organic thiophosphoric acids and derivatives
      • Subclass Thiophosphoric acid esters
        • Ebene5 Aryl thiophosphates
          • Ebene6 Pyrimidinyl phosphorothioates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive
• Brechungsindex: n20/D 1.4978 (lit.)
• Siedepunkt (°C): 83-84 °C/0.002 mmHg (lit.)
• Molekulargewicht: 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