1-Bromo-2,4,5-trifluorobenzene

Base Information

• Chemical Name: 1-Bromo-2,4,5-trifluorobenzene
• CAS No.: 327-52-6
• Molecular Formula: C6H2BrF3
• Molecular Weight: 210.981
• Hs Code.: 29039990
• European Community (EC) Number: 206-318-8
• UNII: 5848WZ4MBL
• DSSTox Substance ID: DTXSID30186366
• Nikkaji Number: J193.747B
• Wikidata: Q72513205
• Mol file: 327-52-6.mol

Synonyms:1-Bromo-2,4,5-trifluorobenzene;327-52-6;2,4,5-trifluorobromobenzene;Benzene, 1-bromo-2,4,5-trifluoro-;5-bromo-1,2,4-trifluorobenzene;2-Bromo-1,4,5-trifluorobenzene;C6H2BrF3;1-Bromo-2,4,5-trifluoro-benzene;EINECS 206-318-8;MFCD00000306;5848WZ4MBL;UNII-5848WZ4MBL;SCHEMBL345490;2,4,5-Trifluorophenyl bromide;2,4,5-Trifluoro bromo benzene;1-bromo-2,4,5-triluorobenzene;DTXSID30186366;CHEBI:189196;1-bromo-2,4,5-trifluoro benzene;CK2385;AKOS005063905;AC-9678;CS-W015084;GS-3478;1-Bromo-2,4,5-trifluorobenzene, 99%;A5851;AM20060138;B1167;FT-0607440;EN300-105435;W-106825

Chemical Property of 1-Bromo-2,4,5-trifluorobenzene

Chemical Property:

• Appearance/Colour: clear slightly yellow liquid
• Vapor Pressure: 0.00557mmHg at 25°C
• Melting Point: -19 °C(lit.)
• Refractive Index: n20/D 1.485(lit.)
• Boiling Point: 144 °C at 760 mmHg
• Flash Point: 55.6 °C
• PSA: 0.00000
• Density: 1.784 g/cm³
• LogP: 10.37880
• Storage Temp.: 2-8°C
• Solubility.: water: insoluble
• Water Solubility.: insoluble
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 209.92920
• Heavy Atom Count: 10
• Complexity: 120

Purity/Quality:

99% ^*data from raw suppliers

1-Bromo-2,4,5-trifluorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi; F
• Hazard Codes: Xi,F
• Statements: 36/37/38-10
• Safety Statements: 26-36/37/39-37/39-16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1F)Br)F)F
• Uses: 1-Bromo-2,4,5-trifluorobenzene is the intermediate of liquid crystals. The derivatives of this compound can be used as intermediates for the synthesis of qunolone antibacterial. It is employed in the synthesis of 3-ethenyl, 3-ethynyl, 3-aryl, and 3-cyclopropyl-2, 4, 5-trifluorobenzoic acids from 1-bromo-2, 4, 5-trifluorobenzene and 2, 4, 5-trifluoro-3-hydroxybenzoic acid. Intermediates of Liquid Crystals

Technology Process of 1-Bromo-2,4,5-trifluorobenzene

There total 12 articles about 1-Bromo-2,4,5-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: 98.7%

1,2,4-trifluorobenzene (367-23-7) → 1-bromo-2,4,5-trifluorobenzene (327-52-6)

Guidance literature:

With bromine; acetic acid; at 20 ℃; for 2h; Reagent/catalyst; Temperature;

Reference yield: 73.1%

2,4,5-trifluoroaniline sulfate → 1-bromo-2,4,5-trifluorobenzene (327-52-6)

Guidance literature:

2,4,5-trifluoroaniline sulfate; With nitrosylsulfuric acid; at 20 ℃; for 4h;

With hydrogen bromide; copper(I) bromide; In water; at 45 - 75 ℃; for 7h; Temperature; Solvent; Reagent/catalyst;

Reference yield:

2,4,5-trifluoroaniline (367-34-0) → 1-bromo-2,4,5-trifluorobenzene (327-52-6)

Guidance literature:

2,4,5-trifluoroaniline; With nitrosylsulfuric acid; sulfuric acid; at 35 - 40 ℃;

With hydrogen bromide; copper(I) bromide; In water; at 100 - 105 ℃; for 2h; Temperature; Reagent/catalyst;

upstream raw materials:

1,2,4-trifluorobenzene

bromine

2,3,5-trifluoro aniline

aniline

Downstream raw materials:

2,3,6-trifluorobenzoic acid

2,4,5-trifluorobenzoic acid

3-bromo-2,5,6-trifluorobenzoic acid

1-Bromo-2,4,5-trifluoro-3-iodo-benzene

Refernces

• 1、 -. "PROCESS FOR THE PREPARATION OF 1-BROMO-2,4,5-TRIFLUOROBENZENE". Page/Page column 13-16; 18. . Retrieved 2021/09/17.
• 2、 -. "Preparation method of 1-bromo-2,4,5-trifluorobenzene". . . Retrieved 2018/03/25.