1-Bromo-2,3,5-trifluorobenzene

Base Information

• Chemical Name: 1-Bromo-2,3,5-trifluorobenzene
• CAS No.: 133739-70-5
• Molecular Formula: C6H2BrF3
• Molecular Weight: 210.981
• Hs Code.: 2903999090
• European Community (EC) Number: 623-354-3
• DSSTox Substance ID: DTXSID30371336
• Nikkaji Number: J693.635K
• Wikidata: Q72513199
• Mol file: 133739-70-5.mol

Synonyms:1-Bromo-2,3,5-trifluorobenzene;133739-70-5;2,3,5-trifluorobromobenzene;Benzene, 1-bromo-2,3,5-trifluoro-;MFCD00012232;SCHEMBL504762;2,3,5-Trifluorophenyl bromide;DTXSID30371336;XSMLLZPSNLQCQU-UHFFFAOYSA-N;BCP34256;AKOS005257833;AC-9676;AM61760;CS-W015080;1-Bromo-2,3,5-trifluorobenzene, 98%;AS-33097;SY048936;B2970;FT-0609454;A20470;EN300-194195;1-Bromo-2,3,5-triflu;2,3,5-Trifluorobromobenzene;InChI=1/C6H2BrF3/c7-4-1-3(8)2-5(9)6(4)10/h1-2

Chemical Property of 1-Bromo-2,3,5-trifluorobenzene

Chemical Property:

• Appearance/Colour: clear slightly yellow liquid
• Vapor Pressure: 4.85mmHg at 25°C
• Refractive Index: n20/D 1.486(lit.)
• Boiling Point: 150.6 °C at 760 mmHg
• Flash Point: 44.2 °C
• PSA: 0.00000
• Density: 1.784 g/cm³
• LogP: 2.86640
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• 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-2,3,5-trifluorobenzene ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1F)F)Br)F

Technology Process of 1-Bromo-2,3,5-trifluorobenzene

There total 2 articles about 1-Bromo-2,3,5-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:

4-bromo-2,3,6-trifluoroaniline → 1-bromo-2,3,5-trifluoro-benzene (133739-70-5)

Guidance literature:

4-bromo-2,3,6-trifluoroaniline; With sulfuric acid; sodium nitrite; at 0 - 20 ℃;

With hypophosphorous acid; at 30 - 60 ℃;

Reference yield:

→ 1-bromo-2,3,5-trifluoro-benzene (133739-70-5)

Guidance literature:

Reference yield: 95.0%

1-bromo-2,3,5-trifluoro-benzene (133739-70-5) + cyclohexylmagnesium bromide (931-50-0) → 1-cyclohexyl-2,3,5-trifluorobenzene

Guidance literature:

1-bromo-2,3,5-trifluoro-benzene; With dichloro [1,1'-bis(diphenylphosphino)propane]palladium(II); In tetrahydrofuran; for 0.0833333h; Inert atmosphere; Schlenk technique;

cyclohexylmagnesium bromide; With lithium bromide; In tetrahydrofuran; at 20 ℃; for 24h; Reagent/catalyst; Inert atmosphere; Schlenk technique;

DOI:10.3998/ark.5550190.p008.044

Downstream raw materials:

[6-hydroxy-2-(2,3,5-trifluoro-phenyl)-naphthalen-1-yl]-[4-(2-piperidin-1-yl-ethoxy)phenyl]-methanone

methyl (3R,4R)-1-[3-(2,3,5-trifluorophenyl)prop-2-ynyl]-4-[3-oxo-3-(6-methoxyquinolin-4-yl)propyl]piperidine-3-carboxylate

α-Ethenyl-2,3,5-trifluorobenzenemethanol

(4-bromo-2,3,6-trifluoro-phenyl)-methanol

Refernces

• 1、 -. "Method for producing tetrakis ( fluoroaryl) borate-magnesium compound". . . Retrieved 2008/06/13.