Triallate

Base Information

• Chemical Name: Triallate
• CAS No.: 2303-17-5
• Molecular Formula: C10H16 Cl3 N O S
• Molecular Weight: 304.668
• Hs Code.: 29302000
• European Community (EC) Number: 218-962-7
• ICSC Number: 0201
• NSC Number: 379698
• UN Number: 2588,2757
• UNII: A9S097HS99
• DSSTox Substance ID: DTXSID5024344
• Nikkaji Number: J3.706K
• Wikidata: Q904371
• ChEMBL ID: CHEMBL1884767
• Mol file: 2303-17-5.mol

Synonyms:Avadex BW;Far Go;Far-Go;FarGo;Tri allate;Tri-allate;Triallate

Chemical Property of Triallate

Chemical Property:

• Appearance/Colour: Colorless crystals or oily amber liquid.
• Vapor Pressure: 0.000286mmHg at 25°C
• Melting Point: 29-30 ºC
• Refractive Index: 1.5320 (estimate)
• Boiling Point: 117 ºC (0.3 mmHg)
• PKA: -1.48±0.70(Predicted)
• Flash Point: 148.6°C
• PSA: 45.61000
• Density: 1.273
• LogP: 4.84390
• Storage Temp.: APPROX 4°C
• Water Solubility.: 4.0 g/mL
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 303.001818
• Heavy Atom Count: 16
• Complexity: 267
• Transport DOT Label: Poison

Purity/Quality:

95% ^*data from raw suppliers

Triallate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn;N,N,Xn,F
• Statements: 22-43-48/22-50/53-36-20/21/22-11
• Safety Statements: 24-37-60-61-36-26-16

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Herbicides, Thiocarbamate
• Canonical SMILES: CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl
• Inhalation Risk: A harmful concentration of airborne particles can be reached quickly on spraying or when dispersed, especially if powdered.
• Effects of Short Term Exposure: The substance is irritating to the eyes and skin.
• Uses: Herbicide used to control wild oats in lentils, barley, peas and winter wheat. Herbicide.

Technology Process of Triallate

There total 2 articles about Triallate 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:

carbon oxide sulfide (463-58-1) + 1,1,2,3-Tetrachloropropene (10436-39-2) + diisopropylamine (108-18-9) → Triallate (2303-17-5)

Guidance literature:

With sodium hydroxide; tetrabutylammomium bromide; Yield given. Multistep reaction; 1.) water, 0-5 deg C, 30 min, 2.) toluene, 20-30 deg C, 2-3 h;

DOI:10.1055/s-1981-29546

Reference yield:

→ Triallate (2303-17-5)

Guidance literature:

Reference yield:

Triallate (2303-17-5) → isopropylamine (75-31-0)

Guidance literature:

aluminium; In water; acetonitrile; Product distribution; Irradiation; influence of aluminum foil;;

DOI:10.1021/ac00154a007

upstream raw materials:

carbon oxide sulfide

1,1,2,3-Tetrachloropropene

diisopropylamine

Downstream raw materials:

Triallate sulfoxide

isopropylamine

Refernces

• 1、 -. "Substituted pyridinesulfonamide compounds or their salts, process for preparing the same, and herbicides containing the same". . . Retrieved 2008/06/13.
• 2、 -. "Furanyl oximes". . . Retrieved 2008/06/13.