1,2-Dibromo-3-fluorobenzene

Base Information

• Chemical Name: 1,2-Dibromo-3-fluorobenzene
• CAS No.: 811711-33-8
• Molecular Formula: C6H3Br2F
• Molecular Weight: 253.896
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID401001821
• Nikkaji Number: J2.299.944C
• Wikidata: Q82995834
• Mol file: 811711-33-8.mol

Synonyms:1,2-Dibromo-3-fluorobenzene;811711-33-8;2,3-Dibromofluorobenzene;1,2-dibromo-3-fluoro-benzene;dibromofluorobenzene;MFCD07368789;1-Fluoro-2,3-dibromobenzene;SCHEMBL491287;DWNYXIICDFVJEX-UHFFFAOYSA-N;DTXSID401001821;AKOS015964415;PS-10241;CS-0038046;FT-0713038;EN300-175273;A856444

Chemical Property of 1,2-Dibromo-3-fluorobenzene

Chemical Property:

• Vapor Pressure: 0.161mmHg at 25°C
• Boiling Point: 221.1oC at 760 mmHg
• Flash Point: 87.5oC
• PSA: 0.00000
• Density: 2.014g/cm3
• LogP: 3.35070
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Light Sensitive
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 253.85650
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

99% ^*data from raw suppliers

2,3-Dibromofluorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)Br)Br)F
• Uses: 2,3-Dibromofluorobenzene is a reactant or reagent used in synthetic preparations such as regioselective aryne cross-couling of aryllithiums.

Technology Process of 1,2-Dibromo-3-fluorobenzene

There total 1 articles about 1,2-Dibromo-3-fluorobenzene 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: 93.0%

3-fluorobromobenzene (1073-06-9) → 1,2-dibromo-3-fluorobenzene (811711-33-8)

Guidance literature:

With 2,2,6,6-tetramethyl-piperidine; n-butyllithium; bromine; zinc(II) chloride; In tetrahydrofuran; hexane; at -78 - 25 ℃;

DOI:10.1021/jo052515k

Reference yield: 88.0%

1,2-dibromo-3-fluorobenzene (811711-33-8) + aniline (62-53-3) → C12H9Br2N

Guidance literature:

With caesium carbonate; In N,N-dimethyl acetamide; at 140 ℃; for 20h; Temperature; Solvent; Reagent/catalyst;

Reference yield: 87.0%

1,2-dibromo-3-fluorobenzene (811711-33-8) + C23H28N2 → C29H30Br2N2

Guidance literature:

With potassium phosphate; In N,N-dimethyl-formamide; at 138 ℃; for 5h;

upstream raw materials:

3-fluorobromobenzene

Downstream raw materials:

2-bromo-6-fluorobenzoic acid

1,2-dibromo-3-methoxybenzene

2-bromo-6-methoxybenzoic acid

2-bromo-3-methoxybenzoic acid

Refernces

• 1、 Menzel, Karsten,Fisher, Ethan L.,DiMichele, Lisa,Frantz, Doug E.,Nelson, Todd D.,Kress, Michael H.. "An improved method for the bromination of metalated haloarenes via lithium, zinc transmetalation: A convenient synthesis of 1,2-dibromoarenes". . p. 2188 - 2191. Retrieved 2007/10/03.