Fluoroiodomethane

Base Information

• Chemical Name: Fluoroiodomethane
• CAS No.: 373-53-5
• Molecular Formula: CH2FI
• Molecular Weight: 159.93
• Hs Code.: 2903799090
• European Community (EC) Number: 676-335-7
• UNII: F4DZ382EN9
• DSSTox Substance ID: DTXSID00553763
• Nikkaji Number: J418.292H
• Wikidata: Q1002152
• Wikipedia: Fluoroiodomethane
• Mol file: 373-53-5.mol

Synonyms:Fluoroiodomethane;373-53-5;Fluoro(iodo)methane;Fluoro-iodo-methane;Fluoromethyl iodide;Methane, fluoroiodo-;MFCD12404952;iodofluoromethane;fluoromethyliodide;Fluor-jod-methan;fluoro-iodomethane;CH2FI;SCHEMBL19443;F4DZ382EN9;DTXSID00553763;XGVXNTVBGYLJIR-UHFFFAOYSA-N;AT16478;WS-00379;F1279;EN300-297917;Fluoroiodomethane (ca. 2mol/L in Acetonitrile);Fluoroiodomethane (ca. 2 mol/L in Acetonitrile);A874131;Q1002152

Chemical Property of Fluoroiodomethane

Chemical Property:

• Vapor Pressure: 277mmHg at 25°C
• Refractive Index: 1.491 (589.3 nm 20℃)
• Boiling Point: 52.6oC at 760 mmHg
• PSA: 0.00000
• Density: 2.307g/cm3
• LogP: 1.34840
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 159.91853
• Heavy Atom Count: 3
• Complexity: 4.8

Purity/Quality:

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

Fluoroiodomethane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(F)I
• Uses: Fluoroiodomethane is an synthetic precursor for the fluoromethylation of radiopharmaceuticals.

Technology Process of Fluoroiodomethane

There total 8 articles about Fluoroiodomethane 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: 53.0%

R32 (593-70-4) → fluoroiodomethane (373-53-5)

Guidance literature:

With sodium iodide; In acetone; at 50 ℃; for 96h;

DOI:10.1021/acs.orglett.5b01361

Reference yield: 15.0%

[18F]fluoromethyl iodide (261504-23-8) → fluoroiodomethane (373-53-5)

Guidance literature:

With mercury(II) fluoride; at 60 ℃; for 10h; under 80 - 100 Torr;

DOI:10.1016/S0960-894X(02)00886-7

Reference yield:

iodotrifluoromethane (2314-97-8,263005-66-9) + hydrogen → tetrafluoroethane + fluoroiodomethane (373-53-5) + perfluoropropylene (116-15-4,13429-24-8,25120-07-4,6792-31-0) + Methyl fluoride (593-53-3) + methyl iodide (74-88-4)

Guidance literature:

In neat (no solvent); reaction with atomic H in a streaming system; further products;; green luminescence;;

upstream raw materials:

diiodomethane

bromofluoromethane

[18F]fluoromethyl iodide

iodotrifluoromethane

Downstream raw materials:

flixotide

[2-fluoromethoxy-5-(5-trifluoromethyl-tetrazol-1-yl)-benzyl]-([2S,3S]-1-t-butoxy carbonyl-2-phenyl-piperidin-3-yl)-amine

(2S,3S)-3-[2-Fluoromethoxy-3-iodo-5-(5-trifluoromethyl-tetrazol-1-yl)-benzylamino]-2-phenyl-piperidine-1-carboxylic acid tert-butyl ester

benzyl fluoride

Refernces

• 1、 Liu, Fanmin,Jiang, Lvqi,Qiu, Huangyao,Yi, Wenbin. "Bunte Salt CH2FSSO3Na: An Efficient and Odorless Reagent for Monofluoromethylthiolation". supporting information. p. 6270 - 6273. Retrieved 2018/09/27.
• 2、 -. "Monofluoromethylthiolation reagent, and preparation method, preparative intermediate and application thereof". Paragraph 0176; 0177; 0178. . Retrieved 2017/09/05.