Isopropyl 2,4-dichlorophenoxyacetate

Base Information

• Chemical Name: Isopropyl 2,4-dichlorophenoxyacetate
• CAS No.: 94-11-1
• Molecular Formula: C11H12 Cl2 O3
• Molecular Weight: 263.12
• Hs Code.: 2918990090
• European Community (EC) Number: 202-305-6
• NSC Number: 521749
• UN Number: 2765
• UNII: S198602E40
• DSSTox Substance ID: DTXSID5020445
• Nikkaji Number: J4.692B
• Wikidata: Q27288441
• ChEMBL ID: CHEMBL3182247
• Mol file: 94-11-1.mol

Synonyms:Aceticacid, (2,4-dichlorophenoxy)-, 1-methylethyl ester (9CI); Acetic acid,(2,4-dichlorophenoxy)-, isopropyl ester (6CI,8CI); 2,4-D Isopropyl ester;2,4-Dichlorophenoxyacetic acid isopropyl ester; Esteron 44; Isopropyl(2,4-dichlorophenoxy)acetate; Isopropyl 2,4-D ester; NSC 521749; Weedone 128

Chemical Property of Isopropyl 2,4-dichlorophenoxyacetate

Chemical Property:

• Appearance/Colour: Colorless liquid dependent on purity/.
• Vapor Pressure: 0.000273mmHg at 25°C
• Melting Point: 24oC
• Refractive Index: 1.5209 (estimate)
• Boiling Point: 323oC
• Flash Point: 126.2°C
• PSA: 35.53000
• Density: 1.269 g/cm3 (20oC)
• LogP: 3.32380
• Storage Temp.: 0-6°C
• Water Solubility.: 27.36mg/L(temperature not stated)
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 262.0163496
• Heavy Atom Count: 16
• Complexity: 233

Purity/Quality:

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

Safty Information:

• Hazard Codes: Xn,N
• Statements: 22-41-50/53-43
• Safety Statements: 26-39-61-60-46-36/37-29

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Herbicides, Chlorophenoxy
• Canonical SMILES: CC(C)OC(=O)COC1=C(C=C(C=C1)Cl)Cl

Technology Process of Isopropyl 2,4-dichlorophenoxyacetate

There total 5 articles about Isopropyl 2,4-dichlorophenoxyacetate 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: 99.09%

isopropyl 2-phenoxyacetate (49566-35-0) → Amchem Weed Killer 650 (94-11-1)

Guidance literature:

With sulfuryl dichloride; di-(p-tolyl)sulfane; magnesium chloride; at 70 ℃; for 0.5h;

Reference yield: 10.0%

2,4-Dichlorophenoxyacetic acid (94-75-7,89300-30-1) + isopropyl alcohol (67-63-0,8013-70-5) → 2-(2,4-dichlorophenoxy)ethanol (120-67-2) + Amchem Weed Killer 650 (94-11-1)

Guidance literature:

2,4-Dichlorophenoxyacetic acid; With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃; for 0.5h;

isopropyl alcohol; With sodium tetrahydroborate; In tetrahydrofuran; at 0 ℃; for 0.5h;

DOI:10.1055/s-0030-1259988

Reference yield:

isopropyl chloroacetate (105-48-6) + 2,4-dichlorophenol (120-83-2,40477-79-0) → Amchem Weed Killer 650 (94-11-1)

Guidance literature:

2,4-dichlorophenol; With sodium hydroxide; In water;

isopropyl chloroacetate; for 0.5h; Reagent/catalyst;

upstream raw materials:

2,4-Dichlorophenoxyacetic acid

isopropyl alcohol

isopropyl chloroacetate

2,4-dichlorophenol

Downstream raw materials:

2,4-Dichlorophenoxyacetic acid

sodium 2,4-dichlorophenoxyacetate

2,4-dichlorophenoxyacetic acid isooctyl ester

diethylammonium 2,4-dichlorophenoxyacetate

Refernces

• 1、 -. "Preparation method of chlorophenoxycarboxamide salt". Paragraph 0092-0093. . Retrieved 2019/01/08.
• 2、 -. "Preparation method of chlorophenoxycarboxylic ester". Paragraph 0088; 0089. . Retrieved 2019/01/08.