3-Bromo-2,6-difluorotoluene

Base Information

• Chemical Name: 3-Bromo-2,6-difluorotoluene
• CAS No.: 221220-97-9
• Molecular Formula: C7H5 Br F2
• Molecular Weight: 207.018
• Hs Code.: 2903999090
• European Community (EC) Number: 642-669-7
• DSSTox Substance ID: DTXSID80461231
• Wikidata: Q72454529
• Mol file: 221220-97-9.mol

Synonyms:221220-97-9;3-bromo-2,6-difluorotoluene;1-Bromo-2,4-difluoro-3-methylbenzene;2,4-difluoro-3-methylbromobenzene;1-bromo-2,4-difluoro-3-methyl-benzene;Benzene, 1-bromo-2,4-difluoro-3-methyl-;MFCD03412221;2,6-difluoro-3-bromotoluene;SCHEMBL584965;DTXSID80461231;AISIRIFPPGLTCY-UHFFFAOYSA-N;3-Methyl-2,4-difluoro-bromobenzene;Bromo-2,4-difluoro-3-methyl-benzene;AKOS005259684;2,4-Difluoro-3-methyl-1-bromobenzene;CS-W003055;FS-4005;SB73752;SY020677;2 pound not4-Difluoro-3-methylbromobenzene;FT-0644043;A815944

Chemical Property of 3-Bromo-2,6-difluorotoluene

Chemical Property:

• Vapor Pressure: 1.62mmHg at 25°C
• Refractive Index: 1.510
• Boiling Point: 174℃
• Flash Point: 59℃
• PSA: 0.00000
• Density: 1.588
• LogP: 3.03570
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 205.95427
• Heavy Atom Count: 10
• Complexity: 118

Purity/Quality:

97% ^*data from raw suppliers

1-Bromo-2,4-difluoro-3-methylbenzene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Bromo-2,6-difluorotoluene

There total 3 articles about 3-Bromo-2,6-difluorotoluene 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:

2,6-difluorotoluene (443-84-5) → 1-bromo-2,4-difluoro-3-methylbenzene (221220-97-9)

Guidance literature:

With bromine; iron; at 20 - 30 ℃; for 12h;

Reference yield:

n-butyllithium (109-72-8,29786-93-4) + 2,4-difluorobromobenzene (348-57-2) + methyl iodide (74-88-4) → 1-bromo-2,4-difluoro-3-methylbenzene (221220-97-9)

Guidance literature:

With diisopropylamine; In tetrahydrofuran;

Reference yield:

n-butyllithium (109-72-8,29786-93-4) + 2,4-difluorobromobenzene (348-57-2) + diisopropylamine (108-18-9) + methyl iodide (74-88-4) → 1-bromo-2,4-difluoro-3-methylbenzene (221220-97-9)

Guidance literature:

diisopropylamine; In tetrahydrofuran; Cooling with acetone-dry ice;

n-butyllithium; In hexane; for 0.25h;

2,4-difluorobromobenzene; methyl iodide; more than 3 stages;

upstream raw materials:

2,6-difluorotoluene

n-butyllithium

2,4-difluorobromobenzene

methyl iodide

Downstream raw materials:

2,4-difluoro-3-methylbenzonitrile

2,4-difluoro-3-methylbenzoic acid

1-bromo-3-(bromomethyl)-2,4-difluorobenzene

C₁₆H₁₀F₂O