Phenol, 3-[2-chloro-4-(trifluoromethyl)phenoxy]-, acetate

Base Information

• Chemical Name: Phenol, 3-[2-chloro-4-(trifluoromethyl)phenoxy]-, acetate
• CAS No.: 50594-77-9
• Molecular Formula: C15H10ClF3O3
• Molecular Weight: 330.691
• Hs Code.: 2915390090
• European Community (EC) Number: 256-635-0
• UNII: 7T2IS4PR1X
• DSSTox Substance ID: DTXSID7028019
• Nikkaji Number: J261.545B
• Wikidata: Q27268811
• Mol file: 50594-77-9.mol

Synonyms:50594-77-9;3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl acetate;Phenol, 3-[2-chloro-4-(trifluoromethyl)phenoxy]-, acetate;EINECS 256-635-0;UNII-7T2IS4PR1X;7T2IS4PR1X;2-Chloro-1-(3-acetoxyphenoxy)-4-(trifluoromethyl)benzene;3-(2-Chloro-4-(trifluoromethyl)phenoxy)phenol 1-acetate;Phenol, 3-(2-chloro-4-(trifluoromethyl)phenoxy)-, acetate;2-Chloro-4-trifluoromethyl-3'-acetoxydiphenyl ether;3-(2-Chloro-4-(trifluoromethyl)phenoxy)phenol acetate;3-(2-Chloro-4-(trifluoromethyl)phenoxy)phenyl acetate;Phenol, 3-(2-chloro-4-(trifluoromethyl)phenoxy)-, 1-acetate;3-[2-Chloro-4-(trifluoromethyl)phenoxy]phenol acetate;C15H10ClF3O3;DTXSID7028019;C15-H10-Cl-F3-O3;LS-104276;Q27268811;M-((2-CHLORO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-P-TOLYL)OXY)PHENYL ACETATE

Chemical Property of Phenol, 3-[2-chloro-4-(trifluoromethyl)phenoxy]-, acetate

Chemical Property:

• Vapor Pressure: 6.39E-05mmHg at 25°C
• Boiling Point: 344.9°C at 760 mmHg
• Flash Point: 121.1°C
• PSA: 35.53000
• Density: 1.36g/cm³
• LogP: 5.07640
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 330.0270564
• Heavy Atom Count: 22
• Complexity: 389

Purity/Quality:

99% ^*data from raw suppliers

3-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]PHENYL ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl

Technology Process of Phenol, 3-[2-chloro-4-(trifluoromethyl)phenoxy]-, acetate

There total 4 articles about Phenol, 3-[2-chloro-4-(trifluoromethyl)phenoxy]-, 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: 88.2%

3-(2'-chloro-4'-trifluoromethyl-phenoxy)-phenol (50594-76-8) + acetic anhydride (108-24-7) → 2-Chlor-4-trifluormethyl-3'-acetoxydiphenylether (50594-77-9)

Guidance literature:

at 100 ℃; for 1h;

DOI:10.1515/znb-1980-0721

Reference yield:

1,2-dichloro-4-(trifluoromethyl)benzene (328-84-7) → 2-Chlor-4-trifluormethyl-3'-acetoxydiphenylether (50594-77-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) KOH / 1.) DMSO, H₂O, toluene, 2.) 160 deg C, 16 h

2: 88.2 percent / 1 h / 100 °C

With potassium hydroxide;

DOI:10.1515/znb-1980-0721

Reference yield:

recorcinol (108-46-3) → 2-Chlor-4-trifluormethyl-3'-acetoxydiphenylether (50594-77-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) KOH / 1.) DMSO, H₂O, toluene, 2.) 160 deg C, 16 h

2: 88.2 percent / 1 h / 100 °C

With potassium hydroxide;

DOI:10.1515/znb-1980-0721

upstream raw materials:

3-(2'-chloro-4'-trifluoromethyl-phenoxy)-phenol

acetic anhydride

1,2-dichloro-4-(trifluoromethyl)benzene

recorcinol

Downstream raw materials:

5-(o-chloro-p-trifluoromethyl-phenoxy)-2-nitrophenol

2-[5-(2-Chloro-4-trifluoromethyl-phenoxy)-2-nitro-phenoxy]-propionic acid ethyl ester

2-[5-(o-chloro-p-trifluoromethyl-phenoxy)-2-nitrophenoxy]-propionic acid

2-[5-(2-Chloro-4-trifluoromethyl-phenoxy)-2-nitro-phenoxy]-N,N-dimethyl-propionamide