Hexyl (2,4,5-trichlorophenoxy)acetate

Base Information

• Chemical Name: Hexyl (2,4,5-trichlorophenoxy)acetate
• CAS No.: 2630-13-9
• Molecular Formula: C14H17 Cl3 O3
• Molecular Weight: 339.646
• European Community (EC) Number: 220-108-3
• DSSTox Substance ID: DTXSID40949161
• Nikkaji Number: J192.146K
• Wikidata: Q82927012
• Mol file: 2630-13-9.mol

Synonyms:Hexyl (2,4,5-trichlorophenoxy)acetate;2630-13-9;EINECS 220-108-3;hexyl 2,4,5-trichloro-phenoxyacetate;hexyl(2,4,5-trichlorophenoxy)acetate;C14H17Cl3O3;DTXSID40949161;(2,4,5-Trichlorophenoxy)acetic acid hexyl ester

Chemical Property of Hexyl (2,4,5-trichlorophenoxy)acetate

Chemical Property:

• Vapor Pressure: 1.35E-06mmHg at 25°C
• Refractive Index: 1.5320 (estimate)
• Boiling Point: 399.6°Cat760mmHg
• Flash Point: 145.1°C
• PSA: 35.53000
• Density: 1.265g/cm³
• LogP: 5.14910
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 338.024327
• Heavy Atom Count: 20
• Complexity: 289

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl

Technology Process of Hexyl (2,4,5-trichlorophenoxy)acetate

There total 5 articles about Hexyl (2,4,5-trichlorophenoxy)acetate 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: 99.49%

p-bis(difluoromethyl)benzene (369-54-0) → 1,4-bis-(difluorochloromethyl)-benzene (2629-68-7)

Guidance literature:

With chlorine; at 60 ℃; for 1.66667h; under 760.051 Torr; Time; Temperature; Reagent/catalyst; Irradiation;

Reference yield: 3.3%

1,4-bis(trichloromethyl)benzene (68-36-0) → 1-(chlorodifluoromethyl)-4-(trifluoromethyl)benzene (13947-94-9) + 1,4-bis-(difluorochloromethyl)-benzene (2629-68-7) + 1-fluorodichloromethyl-4-difluorochloromethyl-benzene (13947-95-0)

Guidance literature:

With hydrogen fluoride; In 1,2-dichloro-ethane; at 45 ℃; for 10h; under 2280.15 Torr;

DOI:10.1016/j.jfluchem.2007.05.007

Reference yield:

p-bis(difluoromethyl)benzene (369-54-0) → dichloro-tetrafluoro-p-xylene + 1,4-bis-(difluorochloromethyl)-benzene (2629-68-7)

Guidance literature:

With chlorine; In tetrachloromethane;

upstream raw materials:

2,4,5-Trichlorophenoxyacetic acid

hexan-1-ol

p-bis(difluoromethyl)benzene

1,4-bis(trichloromethyl)benzene

Refernces

• 1、 -. "FACILE AND EFFECTIVE METHOD OF PREPARING 1,4-BIS(CHLORODIFLUOROMETHYL)BENZENE". Paragraph 0036; 0037; 0038. . Retrieved 2013/05/21.
• 2、 -. "Processes for the preparation of octafluoro-[2,2]paracyclophane". . . Retrieved 2008/06/13.