1-Fluoro-3-iodobenzene

Base Information

• Chemical Name: 1-Fluoro-3-iodobenzene
• CAS No.: 1121-86-4
• Molecular Formula: C6H4FI
• Molecular Weight: 222.001
• Hs Code.: 29039990
• European Community (EC) Number: 214-339-9
• NSC Number: 10279
• DSSTox Substance ID: DTXSID1061524
• Nikkaji Number: J102.838C
• Wikidata: Q72473547
• Mol file: 1121-86-4.mol

Synonyms:1-Fluoro-3-iodobenzene;3-Fluoroiodobenzene;1121-86-4;m-Fluoroiodobenzene;3-Iodofluorobenzene;Benzene, 1-fluoro-3-iodo-;m-Iodofluorobenzene;1-Fluoro-3-iodo-benzene;1-iodo-3-fluorobenzene;MFCD00001044;NSC 10279;1-fluoranyl-3-iodanyl-benzene;EINECS 214-339-9;m-Fluorobenzene;m-Fluorjodbenzol;3-FLUORO-1-IODOBENZENE;NSC10279;3-fluoro iodobenzene;3-iodo-fluorobenzene;3-Fluoro-iodobenzene;3-fluoro-iodo-benzene;1-iodo-3-fluoro-benzene;3-Fluoroiodobenzene, 99%;SCHEMBL135837;DTXSID1061524;NSC-10279;AKOS009156961;AM61279;CS-W004077;AC-26091;PS-11964;SY007048;A2243;F0260;FT-0615733;FT-0654899;EN300-102338;O10407;W-108654;Y7V

Chemical Property of 1-Fluoro-3-iodobenzene

Chemical Property:

• Appearance/Colour: White crystalline power
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: -42 °C
• Refractive Index: n20/D 1.584(lit.)
• Boiling Point: 183 °C at 760 mmHg
• Flash Point: 67.2 °C
• PSA: 0.00000
• Density: 1.89 g/cm³
• LogP: 2.43030
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Light Sensitive
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 221.93418
• Heavy Atom Count: 8
• Complexity: 74.9

Purity/Quality:

99% ^*data from raw suppliers

1-Fluoro-3-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(=CC(=C1)I)F
• Uses: 3-Fluoroiodobenzene was used to prepare methyl 4-iodobenzo[b]thiophene-2-carboxylate, key intermediate for the synthesis of 4-substituted benzo[b]thiophene-2-carboxamidines.

Technology Process of 1-Fluoro-3-iodobenzene

There total 12 articles about 1-Fluoro-3-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: 96.0%

(3-fluorophenyl)trimethylsilane (7217-41-6) → 1-Fluoro-3-iodobenzene (1121-86-4)

Guidance literature:

With Iodine monochloride; In dichloromethane; for 48h; Heating;

DOI:10.1016/S0040-4020(01)81469-1

Reference yield: 82.0%

meta-fluoroaniline (372-19-0) → 1-Fluoro-3-iodobenzene (1121-86-4)

Guidance literature:

meta-fluoroaniline; With sulfuric acid; sodium nitrite; In water; at 0 ℃; for 1h;

With potassium iodide; In water; at 0 ℃; for 1h;

Reference yield: 63.0%

m-fluorophenyl trifluoromethanesulfonate (57606-65-2) → 1-Fluoro-3-iodobenzene (1121-86-4)

Guidance literature:

With iodine; lithium fluoride; sodium iodide; In acetonitrile; at 25 ℃; for 24h; Inert atmosphere; UV-irradiation; Schlenk technique;

DOI:10.1021/jacs.7b03538

upstream raw materials:

m-Fluor-benzoldiazonium-ion

(3-fluorophenyl)trimethylsilane

fluorobenzene

phenol

Downstream raw materials:

5-(3-Fluoro-phenyl)-pent-4-yn-1-ol

1-(Dichloriod)-3-fluorbenzol

1-fluoro-3-phenylsulfanyl-benzene

3-(3-fluorophenyl)prop-2-yn-1-ol

Refernces

• 1、 Kurumada, Satoshi,Nakano, Ryo,Sugita, Kengo,Yamashita, Makoto. "A meta-Selective C?H Alumination of Mono-Substituted Benzene by Using An Alkyl-Substituted Al Anion through Hydride-Eliminating SNAr Reaction". . p. 20381 - 20384. Retrieved 2020.
• 2、 Xing, Bo,Ni, Chuanfa,Hu, Jinbo. "Hypervalent Iodine(III)-Catalyzed Balz–Schiemann Fluorination under Mild Conditions". supporting information. p. 9896 - 9900. Retrieved 2018/07/31.