1,3,5-Trifluorobenzene

Base Information

• Chemical Name: 1,3,5-Trifluorobenzene
• CAS No.: 372-38-3
• Molecular Formula: C6H3F3
• Molecular Weight: 132.085
• Hs Code.: 29039990
• European Community (EC) Number: 206-751-2
• NSC Number: 10264
• UNII: BN94C411F8
• DSSTox Substance ID: DTXSID90190686
• Nikkaji Number: J95.390C
• Wikidata: Q27274766
• Mol file: 372-38-3.mol

Synonyms:1,3,5-trifluorobenzene

Chemical Property of 1,3,5-Trifluorobenzene

Chemical Property:

• Appearance/Colour: clear colourless liquid
• Vapor Pressure: 116mmHg at 25°C
• Melting Point: -5.5 °C(lit.)
• Refractive Index: n20/D 1.414(lit.)
• Boiling Point: 75.4 °C at 760 mmHg
• Flash Point: 19°F
• PSA: 0.00000
• Density: 1.294 g/cm³
• LogP: 2.10390
• Storage Temp.: Flammables area
• Water Solubility.: Insoluble in water.
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 132.01868458
• Heavy Atom Count: 9
• Complexity: 63.3

Purity/Quality:

99% ^*data from raw suppliers

1,3,5-Trifluorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xi
• Hazard Codes: F,Xi
• Statements: 11-36/37/38
• Safety Statements: 16-26-36-7-33-29-7/9

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Monoaromatics
• Canonical SMILES: C1=C(C=C(C=C1F)F)F
• Uses: 1,3,5-Trifluorobenzene was used in the synthesis of (-)-epicatechin and its 3-O-gallate. It is also used as an intermediate in organic chemical synthesis. 1,3,5-Trifluorobenzene was used in the synthesis of (?)-epicatechin and its 3-O-gallate.

Technology Process of 1,3,5-Trifluorobenzene

There total 33 articles about 1,3,5-Trifluorobenzene 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: 100.0%

methanol (67-56-1) + potassium 2,4,6-trifluorophenyltrifluoroborate → K (dimethoxy)difluoroborate + 1,3,5-trifluorobenzene (372-38-3) + potassium methoxytrifluoroborate (15696-17-0)

Guidance literature:

at 90 - 95 ℃; for 6h; Time; Sealed tube;

DOI:10.1016/j.jfluchem.2014.09.016

Reference yield: 100.0%

2,4,6-trifluorophenylboronic acid (182482-25-3) → 1,3,5-trifluorobenzene (372-38-3)

Guidance literature:

With sodium hydroxide; In water; at 20 ℃; for 0.333333h; Reagent/catalyst; pH-value; Kinetics;

DOI:10.1021/jo500734z

Reference yield: 98.0%

1,3,5-trichlorotrifluorobenzene (319-88-0) → 1,3,5-trifluorobenzene (372-38-3)

Guidance literature:

With sodium hydroxide; hydrogen; palladium 10% on activated carbon; In water; at 140 ℃; for 12h; under 22502.3 Torr; Product distribution / selectivity;

upstream raw materials:

3,5-difluoroaniline

1,3,5-trichlorobenzene

1,3,5-trifluorobicyclo<2.2.0>hexa-2,5-diene

benzene

Downstream raw materials:

1-(2,4,6-trifluorophenyl)ethan-1-one

1,3,5-trifluoro-2,4,6-triiodobenzene

2,4,6-Trifluoro(methylsulfonyl)benzene

2,4,6-trifluorobenzenesulphonyl chloride

Refernces

• 1、 Assante, Michele,Geogheghan, Katherine J.,Hayes, Hannah L. D.,Jin, Na,Leach, Andrew G.,Lloyd-Jones, Guy C.,Noonan, Gary,Tomasi, Simone,Wei, Ran. "Protodeboronation of (Hetero)Arylboronic Esters: Direct versus Prehydrolytic Pathways and Self-/Auto-Catalysis". supporting information. p. 14814 - 14826. Retrieved 2021/09/13.
• 2、 Schneider, Heidi,Hock, Andreas,Jaeger, Alma D.,Lentz, Dieter,Radius, Udo. "NHC·Alane Adducts as Hydride Sources in the Hydrodefluorination of Fluoroaromatics and Fluoroolefins". . p. 4031 - 4043. Retrieved 2018/09/11.