1,2,4-Trifluorobenzene

Base Information

• Chemical Name: 1,2,4-Trifluorobenzene
• CAS No.: 367-23-7
• Molecular Formula: C6H3F3
• Molecular Weight: 132.085
• Hs Code.: 29039990
• European Community (EC) Number: 206-684-9
• NSC Number: 10263
• UNII: QWW4HNQ0L1
• DSSTox Substance ID: DTXSID30190140
• Nikkaji Number: J149.716B
• Wikidata: Q27287530
• Mol file: 367-23-7.mol

Synonyms:1,2,4-Trifluorobenzene;367-23-7;Benzene, 1,2,4-trifluoro-;1,3,4-Trifluorobenzene;UNII-QWW4HNQ0L1;MFCD00000305;QWW4HNQ0L1;EINECS 206-684-9;NSC-10263;NSC10263;1,4-Trifluorobenzene;1,2,5-trifluorobenzene;Benzene,2,4-trifluoro-;1,2,4-Trifluorobenzene #;SCHEMBL180042;1,4-Trifluorobenzene, misnomer;1,2,4-Trifluorobenzene, 98%;DTXSID30190140;NSC 10263;AKOS005762924;AM61934;CS-M-01554;AC-10545;PS-10254;FT-0606253;T1033;EN300-88531;W-106595;Q27287530

Chemical Property of 1,2,4-Trifluorobenzene

Chemical Property:

• Appearance/Colour: clear colourless liquid
• Vapor Pressure: 62.9mmHg at 25°C
• Melting Point: -35oC
• Refractive Index: n20/D 1.423(lit.)
• Boiling Point: 90.7 °C at 760 mmHg
• Flash Point: 4.4 °C
• PSA: 0.00000
• Density: 1.294 g/cm³
• LogP: 2.10390
• Storage Temp.: Refrigerator
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 132.01868458
• Heavy Atom Count: 9
• Complexity: 94.3

Purity/Quality:

99% ^*data from raw suppliers

1,2,4-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

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)F)F
• Uses: 1,2,4-Trifluorobenzene can be used as composite membranes with improved performance and durability.

Technology Process of 1,2,4-Trifluorobenzene

There total 75 articles about 1,2,4-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: 94.9%

2,4,5-trifluorobenzoic acid (446-17-3) → 1,2,4-trifluorobenzene (367-23-7)

Guidance literature:

With ammonia; copper; In water; at 260 ℃; for 1.25h; Temperature; Reagent/catalyst;

Reference yield: 94.0%

2,4,5-trifluorobenzaldehyde (165047-24-5) → 1,2,4-trifluorobenzene (367-23-7)

Guidance literature:

With triethylsilane; C₁₈H₅₁CoP₄Si; In tetrahydrofuran; at 50 ℃; for 6h; Inert atmosphere;

DOI:10.1016/j.ica.2015.10.006

Reference yield: 94.0%

1,2,3,4-tetrafluorobenzene (551-62-2) → 1,2,4-trifluorobenzene (367-23-7)

Guidance literature:

With [(bis(diisopropylphosphino)ethane)Ni(H)]2; triethylphosphine; In 1,4-dioxane; at 120 ℃; for 72h;

DOI:10.1021/ja412268y

upstream raw materials:

fluoroethyne

para-difluorobenzene

p-benzoquinone

ortho-difluorobenzene

Downstream raw materials:

2,5-difluoro-1,1′-biphenyl

2,3,5-trifluorobiphenyl

2,4,5-trifluoro-1,1'-biphenyl

2,3,6-trifluoro-1,1'-biphenyl

Refernces

• 1、 -. "Novel preparation method of 2, 4, 5-trifluorophenylacetic acid". Paragraph 0037; 0075; 0082-0085; 0097-0100; 0102-0103; .... . Retrieved 2021/06/23.
• 2、 -. "PROCESS FOR THE PREPARATION OF 1-BROMO-2,4,5-TRIFLUOROBENZENE". Page/Page column 12; 16-17. . Retrieved 2021/09/17.