2,3,5-Trifluorophenol

Base Information

• Chemical Name: 2,3,5-Trifluorophenol
• CAS No.: 2268-15-7
• Molecular Formula: C6H3F3O
• Molecular Weight: 148.084
• Hs Code.: 29081000
• European Community (EC) Number: 630-758-3
• DSSTox Substance ID: DTXSID30369839
• Nikkaji Number: J801.745J
• Wikidata: Q72513188
• Mol file: 2268-15-7.mol

Synonyms:2,3,5-trifluorophenol;2268-15-7;SCHEMBL363803;DTXSID30369839;JNZQXSIWHRRMNO-UHFFFAOYSA-N;AMY28421;CL9190;MFCD00075416;AKOS009157088;FS-6015;CS-0186481;FT-0609455;A816308

Chemical Property of 2,3,5-Trifluorophenol

Chemical Property:

• Appearance/Colour: clear light yellow liquid after melting
• Melting Point: 29 °C(lit.)
• Refractive Index: n20/D 1.462(lit.)
• Boiling Point: 141.3 °C at 760 mmHg
• PKA: 6.72±0.15(Predicted)
• Flash Point: 69.5 °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%min ^*data from raw suppliers

2,3,5-Trifluorophenol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 10-20/21/22-36/37/38
• Safety Statements: 16-26-27-36/37/39-36-28

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1O)F)F)F
• Uses: 2,3,5-Trifluorophenol is polyurethane derivatives.

Technology Process of 2,3,5-Trifluorophenol

There total 2 articles about 2,3,5-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:

2,3,5-trifluoro aniline (363-80-4) → 2,3,5-trifluorophenol (2268-15-7)

Guidance literature:

DOI:10.1021/ja01510a021

Reference yield:

1,2,3,5-tetrafluorobenzene (2367-82-0) → 2,3,5-trifluorophenol (2268-15-7)

Guidance literature:

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

Reference yield: 86.0%

1-benzhydryl-3-methylazetidin-3-ol (40320-63-6) + 2,3,5-trifluorophenol (2268-15-7) → 1-(diphenylmethyl)-3-methyl-3-(2,3,5-trifluorophenoxy)azetidine

Guidance literature:

2,3,5-trifluorophenol; With triphenylphosphine; In toluene; at 95 ℃; for 0.25h;

1-benzhydryl-3-methylazetidin-3-ol; With di-isopropyl azodicarboxylate; In toluene; at 80 - 95 ℃;

upstream raw materials:

2,3,5-trifluoro aniline

1,2,3,5-tetrafluorobenzene

Downstream raw materials:

(2,3,5-trifluoro-phenoxy)-acetic acid

2,3,6-F₃Y

1-(3-bromo-propoxy)-2,3,5-trifluoro-benzene

(S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-(2,3,6-trifluoro-4-hydroxy-phenyl)-propionic acid

Refernces