Heptyl 2,4-dichlorophenoxyacetate

Base Information

• Chemical Name: Heptyl 2,4-dichlorophenoxyacetate
• CAS No.: 1917-96-0
• Molecular Formula: C15H20 Cl2 O3
• Molecular Weight: 319.228
• Hs Code.: 2918990090
• European Community (EC) Number: 217-634-0
• NSC Number: 190573
• DSSTox Substance ID: DTXSID40940815
• Nikkaji Number: J199.732G
• Wikidata: Q82917532
• Mol file: 1917-96-0.mol

Synonyms:Heptyl 2,4-dichlorophenoxyacetate;1917-96-0;heptyl 2-(2,4-dichlorophenoxy)acetate;EINECS 217-634-0;C15H20Cl2O3;SCHEMBL21381345;DTXSID40940815;heptyl 2,4-dichloro-phenoxyacetate;heptyl-2,4-dichloro-phenoxyacetate;heptyl (2,4-dichlorophenoxy)acetate;NSC190573;NSC 190573;NSC-190573;(2,4-Dichlorophenoxy)acetic acid heptyl ester

Chemical Property of Heptyl 2,4-dichlorophenoxyacetate

Chemical Property:

• Vapor Pressure: 3.24E-06mmHg at 25°C
• Refractive Index: 1.5810 (estimate)
• Boiling Point: 387.7°Cat760mmHg
• Flash Point: 138°C
• PSA: 35.53000
• Density: 1.169g/cm³
• LogP: 4.88580
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 318.0789499
• Heavy Atom Count: 20
• Complexity: 274

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl

Technology Process of Heptyl 2,4-dichlorophenoxyacetate

There total 5 articles about Heptyl 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: 99.0%

n-heptyl glycolate (5426-48-2) + 1,2,4-Trichlorobenzene (120-82-1,63697-18-7) → n-heptyl 2,4-dichlorophenoxyacetate (1917-96-0)

Guidance literature:

n-heptyl glycolate; With magnesium methanolate; at 90 ℃;

1,2,4-Trichlorobenzene; at 140 ℃;

Reference yield:

n-heptyl phenoxyacetate (79239-83-1) → n-heptyl 2,4-dichlorophenoxyacetate (1917-96-0)

Guidance literature:

With 3,4-dichlorothiophene; sulfuryl dichloride; titanium tetrachloride; at 70 ℃; for 0.5h;

Reference yield:

n-heptyl chloroacetate (34589-22-5) → n-heptyl 2,4-dichlorophenoxyacetate (1917-96-0)

Guidance literature:

With 3,4-dichlorothiophene; sulfuryl dichloride; titanium tetrachloride; at 70 ℃; for 0.5h; Large scale;

upstream raw materials:

n-heptyl chloroacetate

phenol

n-heptyl phenoxyacetate

n-heptyl glycolate

Downstream raw materials:

sodium 2,4-dichlorophenoxyacetate

Refernces

• 1、 -. "Preparation method of phenoxycarboxylic acid choline salt". Paragraph 0091; 0093. . Retrieved 2019/01/08.