1-Bromo-2,3,4-trifluorobenzene

Base Information

• Chemical Name: 1-Bromo-2,3,4-trifluorobenzene
• CAS No.: 176317-02-5
• Molecular Formula: C6H2BrF3
• Molecular Weight: 210.981
• Hs Code.: 29039990
• European Community (EC) Number: 631-503-9
• DSSTox Substance ID: DTXSID90369810
• Nikkaji Number: J2.254.900F
• Wikidata: Q72511039
• Mol file: 176317-02-5.mol

Synonyms:1-Bromo-2,3,4-trifluorobenzene;176317-02-5;2,3,4-Trifluorobromobenzene;Benzene, 1-bromo-2,3,4-trifluoro-;MFCD00013248;Trifluorobromobenzene;trifluorophenyl bromide;FR BF CF DE;SCHEMBL577838;2,3,4-Trifluorophenyl bromide;1-bromo-2,3,4trifluorobenzene;2,3,4-Trifluoro Bromo Benzene;l-bromo-2,3,4-trifluorobenzene;DTXSID90369810;MUUAQFJJUGVBGB-UHFFFAOYSA-N;AKOS005145635;AC-8199;AM61367;CS-W015082;1-Bromo-2,3,4-trifluorobenzene, 99%;AS-11924;SY017740;FT-0607436;T1678;EN300-66392;J-506869;InChI=1/C6H2BrF3/c7-3-1-2-4(8)6(10)5(3)9/h1-2

Chemical Property of 1-Bromo-2,3,4-trifluorobenzene

Chemical Property:

• Appearance/Colour: Clear pale yellow liquid
• Vapor Pressure: 4.43mmHg at 25°C
• Refractive Index: n20/D 1.487(lit.)
• Boiling Point: 152.6 °C at 760 mmHg
• Flash Point: 45.8 °C
• PSA: 0.00000
• Density: 1.784 g/cm³
• LogP: 2.86640
• Storage Temp.: 2-8°C
• Water Solubility.: Slightly soluble in water.
• 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-2,3,4-trifluorobenzene ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1F)F)F)Br
• Uses: 1-Bromo-2,3,4-trifluorobenzene is used in synthesis of 5-nitro-6-methylquinoline carboxylic acid.

Technology Process of 1-Bromo-2,3,4-trifluorobenzene

There total 3 articles about 1-Bromo-2,3,4-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: 95.0%

1,2,3-trifluorobenzene (1489-53-8) → 1-bromo-2,3,4-trifluorobenzene (176317-02-5)

Guidance literature:

With bromine; sec.-butyllithium; In tetrahydrofuran; cyclohexane; at -75 ℃; for 45h;

DOI:10.1002/ejoc.200390078

Reference yield:

2,3,4-trifluoroaniline (3862-73-5) → 1-bromo-2,3,4-trifluorobenzene (176317-02-5)

Guidance literature:

With hydrogen bromide; copper(I) bromide; sodium nitrite; Yield given. Multistep reaction;

DOI:10.1016/S0960-894X(97)00324-7

Reference yield:

→ 1-bromo-2,3,4-trifluorobenzene (176317-02-5)

Guidance literature:

upstream raw materials:

2,3,4-trifluoroaniline

1,2,3-trifluorobenzene

Downstream raw materials:

3-bromo-4,5,6-trifluorobenzoic acid

6-bromo-2,3,4-trifluoro-benzoic acid

methyl 3-bromo-4,5,6-trifluorobenzoate

2-bromo-3,4,5-trifluoro-1-iodobenzene

Refernces

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