Methane, bromodifluoroiodo-

Base Information

• Chemical Name: Methane, bromodifluoroiodo-
• CAS No.: 753-66-2
• Molecular Formula: CBrF2I
• Molecular Weight: 256.816
• DSSTox Substance ID: DTXSID00469951
• Wikidata: Q82297888
• Mol file: 753-66-2.mol

Synonyms:Methane, bromodifluoroiodo-;753-66-2;Difluor-brom-jod-methan;SCHEMBL6054884;DTXSID00469951;CKZUZARCDKMQIT-UHFFFAOYSA-N

Chemical Property of Methane, bromodifluoroiodo-

Chemical Property:

• Vapor Pressure: 202.624mmHg at 25°C
• Boiling Point: 60.87oC at 760 mmHg
• Flash Point: -9.385oC
• PSA: 0.00000
• Density: 2.919g/cm3
• LogP: 2.36660
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 255.81962
• Heavy Atom Count: 5
• Complexity: 36.6

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(F)(F)(Br)I

Technology Process of Methane, bromodifluoroiodo-

There total 4 articles about Methane, bromodifluoroiodo- 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:

Hexafluoropropene oxide (428-59-1,25038-02-2) → dibromodifluoromethane (75-61-6) + bromodifluoroiodomethane (753-66-2) + difluorodiiodomethane (1184-76-5)

Guidance literature:

With iodine(I) bromide; nickel; at 190 ℃; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1021/ja961408s

Reference yield:

Hexafluoropropene oxide (428-59-1,25038-02-2) → 1,3-Dibromohexafluoropropane (4259-29-4) + dibromodifluoromethane (75-61-6) + bromodifluoroiodomethane (753-66-2) + difluorodiiodomethane (1184-76-5)

Guidance literature:

With iodine(I) bromide; cobalt-chromium; at 185 ℃; for 6h; Further byproducts given. Title compound not separated from byproducts;

DOI:10.1021/jo0354488

Reference yield:

Bromotrifluoromethane (75-63-8) + iodine (7553-56-2,12190-71-5,8031-47-8) → carbon tetrafluoride (75-73-0) + dibromodifluoromethane (75-61-6) + iodotrifluoromethane (2314-97-8,263005-66-9) + Hexafluoroethane (76-16-4) + bromodifluoroiodomethane (753-66-2)

Guidance literature:

In neat (no solvent); other Radiation; γ-radiation in the presence of iodine; mechanism discussed;;

DOI:10.1021/j100659a002

upstream raw materials:

dibromodifluoromethane

triphenylphosphine

Hexafluoropropene oxide

Bromotrifluoromethane

Downstream raw materials:

diethyl (bromodifluoromethyl)phosphonate

diethyl 1,1-difluoro-1-iodomethylphosphonate