Chlorpyrifos-d10

Base Information

• Chemical Name: Chlorpyrifos-d10
• CAS No.: 285138-81-0
• Molecular Formula: C₉H₁₁Cl₃NO₃PS
• Molecular Weight: 360.511
• European Community (EC) Number: 635-745-6
• DSSTox Substance ID: DTXSID80583927
• Wikidata: Q82475538
• Mol file: 285138-81-0.mol

Synonyms:Chlorpyrifos-d10;285138-81-0;Chlorpyrifos (diethyl-D10);Chlorpyrifos-diethyl-d10;Chlorpyrifos-(diethyl-d10);Chlorpyrifos D10 (diethyl D10);Phosphorothioic acid, O,O-di(ethyl-d5) O-(3,5,6-trichloro-2-pyridinyl) ester (9CI);bis(1,1,2,2,2-pentadeuterioethoxy)-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxy-lambda5-phosphane;Chlorpyrifos D10 (diethyl D10) 100 microg/mL in Acetone;Chlorpyrifos D10 (diethyl D10) 1000 microg/mL in Acetone;Chlorpyrifos D10;CHLORPYRIFOS D10;HY-B0815S;DTXSID80583927;SBPBAQFWLVIOKP-MWUKXHIBSA-N;1ST20176;MS-25713;CS-0213847;F90623;J-017112;Chlorpyrifos-(diethyl-d10), 99 atom % D, 97% (CP)

Chemical Property of Chlorpyrifos-d10

Chemical Property:

• Vapor Pressure: 1.63E-05mmHg at 25°C
• Melting Point: 44-45 °C(lit.)
• Refractive Index: 1.565
• Boiling Point: 375.9°C at 760 mmHg
• Flash Point: 181.1°C
• PSA: 82.48000
• Density: 1.523g/cm³
• LogP: 5.36870
• Storage Temp.: 0-6°C
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 358.989052
• Heavy Atom Count: 18
• Complexity: 303

Purity/Quality:

99%,98%, ^*data from raw suppliers

Chlorpyrifos(Diethyl-d10) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T,N,T+
• Statements: 23/24/25-36/37/38-50/53-26-25-21
• Safety Statements: 26-36/37/39-45-7/9-61-60

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl
• 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]

Technology Process of Chlorpyrifos-d10

There total 2 articles about Chlorpyrifos-d10 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.7%

ethanol-d6 (1516-08-1) + sodium salt of 3,5,6-trichloropyridine-2-ol → chlorpyrifos-D10 (285138-81-0)

Guidance literature:

sodium salt of 3,5,6-trichloropyridine-2-ol; With trichlorothiophosphine; In toluene; at 0 ℃; for 1h;

ethanol-d6; With isopropylamine; In toluene; at 40 ℃; for 2h;

Reference yield:

3,5,6-trichloropyridin-2 ol (6515-38-4) + diethyl chlorothiophosphate-d10 (287397-89-1) → chlorpyrifos-D10 (285138-81-0)

Guidance literature:

With dmap; N-benzyl-N,N,N-triethylammonium chloride; boric acid; sodium chloride; sodium hydroxide; In dichloromethane; water; at 40 - 50 ℃;

upstream raw materials:

ethanol-d6

3,5,6-trichloropyridin-2 ol

diethyl chlorothiophosphate-d10