1,1-Difluoro-1-iodoethane

Base Information

• Chemical Name: 1,1-Difluoro-1-iodoethane
• CAS No.: 420-47-3
• Molecular Formula: C2H3 F2 I
• Molecular Weight: 191.947
• European Community (EC) Number: 866-115-0
• DSSTox Substance ID: DTXSID70194809
• Nikkaji Number: J3.561.582B
• Wikidata: Q82959722
• Mol file: 420-47-3.mol

Synonyms:1,1-Difluoro-1-iodoethane;1-bromo-1,1-difluoro-ethane;SCHEMBL123550;DTXSID70194809;J3.561.582B;EN300-1588369

Chemical Property of 1,1-Difluoro-1-iodoethane

Chemical Property:

• Vapor Pressure: 1090mmHg at 25°C
• Boiling Point: 14.8°Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: 1.691g/cm³
• LogP: 2.03410
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 191.92475
• Heavy Atom Count: 5
• Complexity: 34.6

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(F)(F)I

Technology Process of 1,1-Difluoro-1-iodoethane

There total 3 articles about 1,1-Difluoro-1-iodoethane 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: 62.0%

difluoroethyl trifluoromethane-sulfonate (73323-78-1) → 1,1-difluoro-1-iodoethane (420-47-3)

Guidance literature:

With tetrabutylammomium bromide; sodium iodide; In various solvent(s); for 12h;

DOI:10.1039/a706939a

Reference yield:

Vinylidene fluoride (75-38-7) → 1,1-difluoro-1-iodoethane (420-47-3)

Guidance literature:

With hydrogen iodide; iodine;

DOI:10.1039/jr9560000061

Reference yield:

→ 1,1-difluoro-1-iodoethane (420-47-3)

Guidance literature:

DOI:10.1021/ja00445a005 DOI:10.1002/kin.550080603 DOI:10.1021/ja01031a005

upstream raw materials:

Vinylidene fluoride

difluoroethyl trifluoromethane-sulfonate

Downstream raw materials:

4-(1,1-difluoroethyl)benzonitrile

ethyl 4-(1,1-difluoroethyl)benzoate

1,1-difluoroethylbenzene

Refernces

• 1、 Carlton et al.. "". . p. 555. Retrieved 1969.
• 2、 Marival-Hodebar, Laurence,Tordeux, Marc,Wakselman, Claude. "A Convenient Access to 1,1-Difluoroethyl Triflate and Iodide". . p. 192 - 193. Retrieved 2007/10/03.