1,2-Difluoro-4-iodobenzene

Base Information

• Chemical Name: 1,2-Difluoro-4-iodobenzene
• CAS No.: 64248-58-4
• Molecular Formula: C6H3F2I
• Molecular Weight: 239.991
• Hs Code.: 29039990
• DSSTox Substance ID: DTXSID90369133
• Nikkaji Number: J2.289.553B
• Wikidata: Q72463049
• Mol file: 64248-58-4.mol

Synonyms:1,2-Difluoro-4-iodobenzene;3,4-Difluoroiodobenzene;3,4-Difluorophenyl iodide;4-Iodo-1,2-difluorobenzene;

Chemical Property of 1,2-Difluoro-4-iodobenzene

Chemical Property:

• Appearance/Colour: clear, colorless liquid
• Refractive Index: n20/D 1.558(lit.)
• Boiling Point: 183.5 °C at 760 mmHg
• Flash Point: 68 °C
• PSA: 0.00000
• Density: 2.001 g/cm³
• LogP: 2.56940
• Storage Temp.: 2-8°C
• Sensitive.: Light Sensitive
• Water Solubility.: Insoluble
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 239.92475
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

99% ^*data from raw suppliers

1,2-Difluoro-4-iodobenzene ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1I)F)F

Technology Process of 1,2-Difluoro-4-iodobenzene

There total 2 articles about 1,2-Difluoro-4-iodobenzene 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:

1-bromo-3,4-difluorobenzene (348-61-8) → 1,2-difluoro-4-iodo-benzene (64248-58-4)

Guidance literature:

With iodine; magnesium; In tetrahydrofuran;

DOI:10.1080/10587250210542

Reference yield:

→ 1,2-difluoro-4-iodo-benzene (64248-58-4)

Guidance literature:

Reference yield: 98.0%

1,2-difluoro-4-iodo-benzene (64248-58-4) + 2-(2-AMINOETHYL)-1-METHYLPYRROLIDINE (51387-90-7,422545-96-8) → (3,4-difluoro-phenyl)-[2-(1-methyl-pyrrolidin-2-yl)-ethyl]-amine

Guidance literature:

With 2-(2-methyl-1-oxopropane)cyclohexanone; caesium carbonate; copper(l) iodide; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

DOI:10.1021/ja063063b

upstream raw materials:

1-bromo-3,4-difluorobenzene

Downstream raw materials:

3,4-difluorobenzeneprop-2-ynol

Refernces

• 1、 Tang,Yang, Yong Gang,Wen. "Synthesis and mesomorphic properties of some liquid crystals with 2,3,5,6-tetrafluorophenylene unit". . p. 17 - 24. Retrieved 2007/10/03.