1-Bromo-4-chloro-2-fluoro-3-methylbenzene

Base Information

• Chemical Name: 1-Bromo-4-chloro-2-fluoro-3-methylbenzene
• CAS No.: 943830-58-8
• Molecular Formula: C₇H₅BrClF
• Molecular Weight: 223.472
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID40537421
• Wikidata: Q82412407
• Mol file: 943830-58-8.mol

Synonyms:1-Bromo-4-chloro-2-fluoro-3-methylbenzene;943830-58-8;3-Bromo-6-chloro-2-fluorotoluene;1-Bromo-4-chloro-2-fluoro-3-methyl-benzene;SCHEMBL1224250;DTXSID40537421;CKQJSLXOBAZJLD-UHFFFAOYSA-N;MFCD09800768;AKOS015842358;DS-14935;CS-0186321;C77252;A859451

Chemical Property of 1-Bromo-4-chloro-2-fluoro-3-methylbenzene

Chemical Property:

• PSA: 0.00000
• LogP: 3.55000
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 221.92472
• Heavy Atom Count: 10
• Complexity: 120

Purity/Quality:

97% ^*data from raw suppliers

1-Bromo-4-chloro-2-fluoro-3-methylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1F)Br)Cl

Technology Process of 1-Bromo-4-chloro-2-fluoro-3-methylbenzene

There total 3 articles about 1-Bromo-4-chloro-2-fluoro-3-methylbenzene 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: 86.0%

2-chloro-5-bromofluorobenzene (60811-18-9) + methyl iodide (74-88-4) → 1-bromo-4-chloro-2-fluoro-3-methylbenzene (943830-58-8)

Guidance literature:

2-chloro-5-bromofluorobenzene; With n-butyllithium; diisopropylamine; In tetrahydrofuran; at -50 - -15 ℃;

methyl iodide; In tetrahydrofuran; at -60 ℃;

Reference yield:

1-bromo-4-chloro-2-fluorobenzene (1996-29-8) + methyl iodide (74-88-4) → 1-bromo-4-chloro-2-fluoro-3-methylbenzene (943830-58-8)

Guidance literature:

1-bromo-4-chloro-2-fluorobenzene; With lithium diisopropyl amide; In tetrahydrofuran; at -50 ℃; for 0.5h;

methyl iodide; In tetrahydrofuran; at -50 - 20 ℃;

Reference yield:

→ 1-bromo-4-chloro-2-fluoro-3-methylbenzene (943830-58-8)

Guidance literature:

upstream raw materials:

2-chloro-5-bromofluorobenzene

methyl iodide

1-bromo-4-chloro-2-fluorobenzene