Trifluoromethyl hypochlorite

Base Information

• Chemical Name: Trifluoromethyl hypochlorite
• CAS No.: 22082-78-6
• Molecular Formula: CCl F3 O
• Molecular Weight: 120.459
• Hs Code.: 2920909090
• DSSTox Substance ID: DTXSID10450714
• Nikkaji Number: J820.910C
• Wikidata: Q82270518
• Mol file: 22082-78-6.mol

Synonyms:Methanol,trifluoro-, hypochlorite (8CI); Trifluoromethyl hypochlorite

Chemical Property of Trifluoromethyl hypochlorite

Chemical Property:

• Boiling Point: -46.99°C (rough estimate)
• PSA: 9.23000
• LogP: 1.67660
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 119.9589768
• Heavy Atom Count: 6
• Complexity: 40.5

Purity/Quality:

97% ^*data from raw suppliers

TRIFLUOROMETHYL HYPOCHLORITE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(OCl)(F)(F)F

Technology Process of Trifluoromethyl hypochlorite

There total 4 articles about Trifluoromethyl hypochlorite 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:

Fluorocarbonyl hypofluorite (16566-10-2) → Carbonyl fluoride (353-50-4) + trifluoromethyl hypochlorite (22082-78-6) + difluorodioxirane (96740-99-7)

Guidance literature:

With chlorine monofluoride; cesium fluoride;

Reference yield:

Carbonyl fluoride (353-50-4) → trifluoromethyl hypochlorite (22082-78-6)

Guidance literature:

With chlorine monofluoride; cesium fluoride; at -78 - 20 ℃;

DOI:10.1063/1.474017

Reference yield:

Carbonyl fluoride (353-50-4) + chlorine monofluoride (7790-89-8) → trifluoromethyl hypochlorite (22082-78-6)

Guidance literature:

aluminium oxide; ambient temp., equimolar amt. of educts, pressure: 20 torr;

upstream raw materials:

Fluorocarbonyl hypofluorite

Carbonyl fluoride

chlorine monofluoride

Downstream raw materials:

1,1,1-trifluoro-2-bromo-2-chloroethane

2-Bromo-2-chloro-1,1-difluoro-1-trifluoromethoxy-ethane

thionyl chlorofluoride

carbon tetrafluoride

Refernces

• 1、 Schack,Maya. "". . p. 2902,2903. Retrieved 1969.
• 2、 Erben, Mauricio F.,Della Védova, Carlos O.,Willner, Helge. "N,N-Difluoro-O-trifluoromethyl-hydroxylamine, CF3ONF 2: Conformation and vibrational analysis studied by experimental and theoretical methods". . p. 63 - 70. Retrieved 2004.
• 3、 Erben, Mauricio F.,Della Vedova, Carlos O.,Boese, Roland,Willner, Helge,Oberhammer, Heinz. "Trifluoromethyl chloroformate, CIC(O)OCF3: Structure, conformation, and vibrational analysis studied by experimental and theoretical methods". . p. 699 - 706. Retrieved 2004.