Phenol, 4-[4-(trifluoromethyl)phenoxy]-

Base Information

• Chemical Name: Phenol, 4-[4-(trifluoromethyl)phenoxy]-
• CAS No.: 39634-42-9
• Molecular Formula: C13H9 F3 O2
• Molecular Weight: 254.208
• Hs Code.: 2909500000
• European Community (EC) Number: 254-549-8
• DSSTox Substance ID: DTXSID6068191
• Nikkaji Number: J32.009I
• Wikidata: Q81994902
• ChEMBL ID: CHEMBL4279352
• Mol file: 39634-42-9.mol

Synonyms:39634-42-9;4-[4-(Trifluoromethyl)phenoxy]phenol;4-[(4-Trifluoromethyl)Phenoxy]Phenol;4-(4-(trifluoromethyl)phenoxy)phenol;Phenol, 4-[4-(trifluoromethyl)phenoxy]-;p-(4-(Trifluoromethyl)phenoxy)phenol;C13H9F3O2;EINECS 254-549-8;Phenol, 4-(4-(trifluoromethyl)phenoxy)-;P-[4-(trifluoromethyl)phenoxy]phenol;p-(p-Trifluoromethylphenoxy)phenol;Phenol,4-[4-(trifluoromethyl)phenoxy]-;SCHEMBL1765673;CHEMBL4279352;DTXSID6068191;AML0033;4-(4-trifluoromethylPhenoxy)phenol;4-(4-trifluoromethylPhenoxy)-phenol;C13-H9-F3-O2;MFCD00192527;4-(4'-trifluoromethylphenoxy)-phenol;4-(4-trifluoromethyl-phenoxy)-phenol;AKOS015916316;4-[4-(Trifluoromethyl)-phenoxy]phenol;4-[(4-Trifluoromethylphenyl)oxy]phenol;DS-11897;4-[4-(Trifluoromethyl)phenoxy]phenol, 98%;CS-0105787

Chemical Property of Phenol, 4-[4-(trifluoromethyl)phenoxy]-

Chemical Property:

• Vapor Pressure: 0.000181mmHg at 25°C
• Melting Point: 49-54 °C(lit.)
• Boiling Point: 319.4°Cat760mmHg
• Flash Point: 150.5°C
• PSA: 29.46000
• Density: 1.324g/cm³
• LogP: 4.20330
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 254.05546401
• Heavy Atom Count: 18
• Complexity: 252

Purity/Quality:

99%min ^*data from raw suppliers

4-[4-(Trifluoromethyl)phenoxy]phenol 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(F)(F)F)OC2=CC=C(C=C2)O

Technology Process of Phenol, 4-[4-(trifluoromethyl)phenoxy]-

There total 11 articles about Phenol, 4-[4-(trifluoromethyl)phenoxy]- 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%

4-Fluorobenzotrifluoride (402-44-8) + hydroquinone (123-31-9,8027-02-9) → p-[4-(trifluoromethyl)phenoxy]phenol (39634-42-9)

Guidance literature:

With 18-crown-6 ether; potassium tert-butylate; In dimethyl sulfoxide; at 100 ℃; for 24h;

DOI:10.1016/j.tetlet.2005.09.025

Reference yield: 91.0%

→ p-[4-(trifluoromethyl)phenoxy]phenol (39634-42-9)

Guidance literature:

With methanol; copper(II) ferrite; at 20 ℃; for 24h;

Reference yield: 90.0%

4-chlorobenzotrifluoride (98-56-6) + hydroquinone (123-31-9,8027-02-9) → p-[4-(trifluoromethyl)phenoxy]phenol (39634-42-9)

Guidance literature:

hydroquinone; With potassium hydroxide; In N,N-dimethyl-formamide; at 100 ℃; for 1h;

4-chlorobenzotrifluoride; at 140 ℃; for 8h;

upstream raw materials:

4-methoxyphenoxy-4-trifluoromethylphenyl ether

4-(4-Trifluoromethylphenoxy)benzaldehyde

4-Fluorobenzotrifluoride

hydroquinone

Downstream raw materials:

2-[4-(4-Trifluoromethyl-phenoxy)-phenoxy]-pentanoic acid

3-Methyl-2-[4-(4-trifluoromethyl-phenoxy)-phenoxy]-butyric acid

2-[4-(4-Trifluoromethyl-phenoxy)-phenoxy]-butyric acid

2-[4-(4-Trifluoromethyl-phenoxy)-phenoxy]-hexanoic acid

Refernces

• 1、 -. "Preparation method of pyriproxyfen compounds". Paragraph 0068; 0069; 0070. . Retrieved 2016/10/27.
• 2、 Marcune, Benjamin F.,Hillier, Michael C.,Marcoux, Jean-Fran?ois,Humphrey, Guy R.. "Selective displacement of aryl fluorides with hydroquinone: Synthesis of 4-phenoxyphenols". . p. 7823 - 7826. Retrieved 2007/10/03.