Diethatyl-ethyl

Base Information

• Chemical Name: Diethatyl-ethyl
• CAS No.: 38727-55-8
• Deprecated CAS: 51142-20-2,52002-01-4,62180-86-3,52002-01-4
• Molecular Formula: C16H22 Cl N O3
• Molecular Weight: 311.809
• Hs Code.: 29242990
• European Community (EC) Number: 254-105-3
• UNII: U79T955O9J
• DSSTox Substance ID: DTXSID9032539
• Nikkaji Number: J16.299J
• Wikidata: Q27155787
• Mol file: 38727-55-8.mol

Synonyms:diethatyl ethyl;diethatyl-ethyl

Chemical Property of Diethatyl-ethyl

Chemical Property:

• Vapor Pressure: 3.23E-08mmHg at 25°C
• Melting Point: 49-50 °C
• Refractive Index: 1.538
• Boiling Point: 447.9 °C at 760 mmHg
• PKA: 1.18±0.50(Predicted)
• Flash Point: 224.7 °C
• PSA: 46.61000
• Density: 1.15 g/cm³
• LogP: 2.94630
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 311.1288213
• Heavy Atom Count: 21
• Complexity: 336

Purity/Quality:

99% ^*data from raw suppliers

DiethatylEthyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C(=CC=C1)CC)N(CC(=O)OCC)C(=O)CCl
• Uses: Diethatyl Ethyl is an herbicide used to protect crops from invasive weeds. Affects a variety of agriculture produce.Environmental toxin on US EPA Toxic Release Inventory list (TRI) list.

Technology Process of Diethatyl-ethyl

There total 2 articles about Diethatyl-ethyl 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:

2,6-diethyl-anilino-acetic acid ethyl ester (38727-56-9) + chloroacetyl chloride (79-04-9) → N-chloroacetyl-2,6-diethylanilino-acetic acid ethyl ester (38727-55-8)

Guidance literature:

With hydrogenchloride; sodium hydroxide; triethylamine; In benzene;

Reference yield:

→ N-chloroacetyl-2,6-diethylanilino-acetic acid ethyl ester (38727-55-8)

Guidance literature:

/BRN= 125245/, ClCH2COCl, C6H6, NEt3 1)10-20grad 2)20grad, 25 Std.;

upstream raw materials:

2,6-diethyl-anilino-acetic acid ethyl ester

chloroacetyl chloride

Refernces

• 1、 -. "Stabilized AGchemical concentrate and use thereof". . . Retrieved 2008/06/13.
• 2、 -. "Sulfamoylphenylureas". . . Retrieved 2008/06/13.