2,6-Difluoroiodobenzene

Base Information

• Chemical Name: 2,6-Difluoroiodobenzene
• CAS No.: 13697-89-7
• Molecular Formula: C6H3 F2 I
• Molecular Weight: 239.991
• Hs Code.: 2903999090
• European Community (EC) Number: 679-733-9
• DSSTox Substance ID: DTXSID20382254
• Nikkaji Number: J149.701D
• Wikidata: Q72463056
• Mol file: 13697-89-7.mol

Synonyms:2,6-Difluoroiodobenzene;13697-89-7;1,3-Difluoro-2-iodobenzene;Benzene, 1,3-difluoro-2-iodo-;MFCD04039247;2,6-difluoro-1-iodobenzene;1,3-difluoro-2-iodo-benzene;2.6-difluoro iodobenzene;SCHEMBL577856;DTXSID20382254;VQMXWPLTZBKNEH-UHFFFAOYSA-N;2,6-Difluoroiodobenzene, AldrichCPR;AKOS009159067;AM61324;PB40439;AC-28623;BP-11350;PS-10249;SY023892;CS-0059149;D3643;FT-0677350;EN300-117665;A807167;J-006943;Z381540834

Chemical Property of 2,6-Difluoroiodobenzene

Chemical Property:

• Vapor Pressure: 0.927mmHg at 25°C
• Melting Point: 24-26℃
• Refractive Index: 1.566
• Boiling Point: 186.1°Cat760mmHg
• Flash Point: 69.1°C
• PSA: 0.00000
• Density: 2.001g/cm³
• LogP: 2.56940
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• 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: 87.1

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,6-Difluoroiodobenzene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

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

Technology Process of 2,6-Difluoroiodobenzene

There total 11 articles about 2,6-Difluoroiodobenzene 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: 98.0%

1,3-Difluorobenzene (372-18-9) → 2,6-difluoroiodobenzene (13697-89-7)

Guidance literature:

With iodine; sec.-butyllithium; In tetrahydrofuran; cyclohexane; at -75 ℃;

DOI:10.1002/1099-0690(200210)2002:19<3351::AID-EJOC3351>3.0.CO;2-I

Reference yield: 75.0%

aqueous Na2S2O3 + 1,3-Difluorobenzene (372-18-9) → 2,6-difluoroiodobenzene (13697-89-7)

Guidance literature:

With n-butyllithium; iodine; In tetrahydrofuran; water;

Reference yield: 70.0%

2,6-difluoroaniline (5509-65-9) → 2,6-difluoroiodobenzene (13697-89-7)

Guidance literature:

With hydrogenchloride; potassium iodide; sodium nitrite; In water; at 0 - 20 ℃;

DOI:10.1039/c8tc06517a

upstream raw materials:

1,3-Difluorobenzene

1,3-difluoro-2-trimethylsilylbenzene

2,6-difluoroaniline

1-bromo-2,6-difluorobenzene

Downstream raw materials:

N-(3-((2-aminopyrimidin-5-yl)ethynyl)-2,4-difluorophenyl)-5-chloro-2-methoxypyridine-3-sulfonamide

Refernces

• 1、 Maiti, Buddhadev,Wang, Kunlun,Bhandari, Srijana,Bunge, Scott D.,Twieg, Robert J.,Dunietz, Barry D.. "Enhancing charge mobilities in selectively fluorinated oligophenyl organic semiconductors: a design approach based on experimental and computational perspectives". supporting information. p. 3881 - 3888. Retrieved 2019/04/30.
• 2、 -. "Protein kinase inhibitor and its composition and use thereof". Paragraph 0493-0495. . Retrieved 2017/08/02.