2,4,5-Trifluorophenol

Base Information

• Chemical Name: 2,4,5-Trifluorophenol
• CAS No.: 2268-16-8
• Molecular Formula: C6H3F3O
• Molecular Weight: 148.084
• Hs Code.: 29081000
• European Community (EC) Number: 642-677-0
• DSSTox Substance ID: DTXSID10177212
• Nikkaji Number: J801.746H
• Wikidata: Q72513191
• Mol file: 2268-16-8.mol

Synonyms:2,4,5-Trifluorophenol;2268-16-8;Phenol, 2,4,5-trifluoro-;Phenol,2,4,5-trifluoro-;MFCD00061215;?2,4,5-trifluorophenol;2,4,5-trifluoro-phenol;SCHEMBL318772;2,4,5-Trifluorophenol, 98%;DTXSID10177212;CK1179;AKOS000121106;2-Amino-2-methyl-butyric hydrochloride;CS-W018193;GS-3284;BP-10592;FT-0609810;EN300-24417;A816309;Z196187736

Chemical Property of 2,4,5-Trifluorophenol

Chemical Property:

• Appearance/Colour: white crystalline powder or chunks
• Vapor Pressure: 1.16mmHg at 25°C
• Melting Point: 37-42 °C
• Refractive Index: 1.471
• Boiling Point: 169.5 °C at 760 mmHg
• PKA: 7.74±0.23(Predicted)
• Flash Point: 55 °C
• PSA: 20.23000
• Density: 1.473 g/cm³
• LogP: 1.80950
• Storage Temp.: Flammables area
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 148.01359920
• Heavy Atom Count: 10
• Complexity: 120

Purity/Quality:

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

2,4,5-Trifluorophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C-F,Xi
• Hazard Codes: C-F,Xi
• Statements: 34-20/21/22-11-36/37/38
• Safety Statements: 45-36/37/39-26-16-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1F)F)F)O

Technology Process of 2,4,5-Trifluorophenol

There total 4 articles about 2,4,5-Trifluorophenol 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: 94.8%

2,3,5,6-tetrafluorobenzoic acid (652-18-6) → 2,4,5-trifluorophenol (2268-16-8)

Guidance literature:

With water; lithium hydroxide; In toluene; at 100 - 155 ℃; for 25h; Sealed tube;

Reference yield:

2,4,5-trifluoroaniline (367-34-0) → 2,4,5-trifluorophenol (2268-16-8)

Guidance literature:

DOI:10.1021/ja01510a021

Reference yield:

1,2,4,5-Tetrafluorobenzene (327-54-8) → 2,4,5-trifluorophenol (2268-16-8)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; for 4h; Heating;

upstream raw materials:

2,4,5-trifluoroaniline

1,2,4,5-Tetrafluorobenzene

2,3,5,6-tetrafluorobenzoic acid

Downstream raw materials:

4-[4-(2,4,5-trifluoro-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid tert-butyl ester

3-(2,4,5-trifluoro-phenoxy)-propionic acid

1,2,4-trifluoro-5-methoxybenzene

1-(2,4-dihydroxy-5-methylphenyl)-2-(2,4,5-trifluorophenoxy)ethanone

Refernces

• 1、 Allen, Kim J.,Bolton, Roger,Williams, Gareth H.. "Homolytic Reactions of Polyfluoroaromatic Compounds. Part 16. Competitive Phenylation of Polyfluorobenzenes". . p. 691 - 696. Retrieved 2007/10/02.