4-Bromo-2,5-difluoroanisole

Base Information

• Chemical Name: 4-Bromo-2,5-difluoroanisole
• CAS No.: 202865-60-9
• Molecular Formula: C₇H₅BrF₂O
• Molecular Weight: 223.017
• Hs Code.: 29093090
• DSSTox Substance ID: DTXSID30369314
• Wikidata: Q72454272
• Mol file: 202865-60-9.mol

Synonyms:4-Bromo-2,5-difluoroanisole;202865-60-9;1-Bromo-2,5-difluoro-4-methoxybenzene;MFCD00143258;Benzene, 1-bromo-2,5-difluoro-4-methoxy-;1-bromo-2,5-difluoro-4-methoxy-benzene;SCHEMBL435716;DTXSID30369314;OOTXNQBDWFJMNN-UHFFFAOYSA-N;CL9260;AKOS005258027;AC-3752;AM61829;4-bromo-2,5-difluoroanisole, AldrichCPR;AS-46264;B3097;FT-0617739;A19850

Chemical Property of 4-Bromo-2,5-difluoroanisole

Chemical Property:

• Appearance/Colour: almost white crystals
• Vapor Pressure: 1.47mmHg at 25°C
• Melting Point: 59-63 °C
• Refractive Index: 1.5
• Boiling Point: 200.652 °C at 760 mmHg
• Flash Point: 89.348 °C
• PSA: 9.23000
• Density: 1.616 g/cm³
• LogP: 2.73590
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 221.94918
• Heavy Atom Count: 11
• Complexity: 134

Purity/Quality:

97% ^*data from raw suppliers

4-BROMO-2,5-DIFLUOROANISOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 36/37/38-25
• Safety Statements: 37/39-26-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1F)Br)F

Technology Process of 4-Bromo-2,5-difluoroanisole

There total 2 articles about 4-Bromo-2,5-difluoroanisole 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: 56.07%

4-bromo-2,5-difluoro phenol (486424-36-6) + methyl iodide (74-88-4) → 1-bromo-2,5-difluoro-4-methoxybenzene (202865-60-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 45 ℃; for 0.25h; Inert atmosphere;

Reference yield:

2,5-difluorophenol (2713-31-7) → 1-bromo-2,5-difluoro-4-methoxybenzene (202865-60-9)

Guidance literature:

Multi-step reaction with 2 steps

1: bromine / chloroform / 3 h / 0 - 20 °C

2: potassium carbonate / N,N-dimethyl-formamide / 0.25 h / 45 °C / Inert atmosphere

With bromine; potassium carbonate; In chloroform; N,N-dimethyl-formamide;

upstream raw materials:

4-bromo-2,5-difluoro phenol

methyl iodide

2,5-difluorophenol