Bromochlorofluoromethane

Base Information

• Chemical Name: Bromochlorofluoromethane
• CAS No.: 593-98-6
• Molecular Formula: CHBrClF
• Molecular Weight: 147.37
• UNII: 9RH760PZ3L
• DSSTox Substance ID: DTXSID70870651
• Nikkaji Number: J181.383H,J181.384F,J464B
• Wikipedia: Bromochlorofluoromethane
• Wikidata: Q19903610
• Mol file: 593-98-6.mol

Synonyms:bromochlorofluoromethane

Chemical Property of Bromochlorofluoromethane

Chemical Property:

• Vapor Pressure: 423mmHg at 25°C
• Melting Point: -115°C
• Refractive Index: 1.4144 (estimate)
• Boiling Point: 41.2°Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: 1.953g/cm³
• LogP: 1.87320
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 145.89342
• Heavy Atom Count: 4
• Complexity: 17.5

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(F)(Cl)Br

Technology Process of Bromochlorofluoromethane

There total 14 articles about Bromochlorofluoromethane 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: 50.0%

chlorodibromomethane (124-48-1) → 1-chloro-1-fluoro-1-bromomethane (593-98-6)

Guidance literature:

With mercury(II) fluoride; at 85 - 120 ℃;

DOI:10.1021/ja00310a041

Reference yield: 46.2%

strychnine bromochlorofluoro acetate → 1-chloro-1-fluoro-1-bromomethane (593-98-6)

Guidance literature:

In ethylene glycol; at -78 - 140 ℃; for 1h;

DOI:10.1039/c7ra09727a

Reference yield:

Fluorochlorobromoacetic acid (354-03-0) → (+)-Bromchlorfluormethan (593-98-6,22611-58-1,31747-37-2,88987-26-2,132695-86-4,136777-47-4) + (-)-Bromochlorofluoromethane (593-98-6,22611-58-1,31747-37-2,88987-26-2,132695-86-4,136777-47-4)

Guidance literature:

With ethylene glycol; strychnidin-10-one; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts; 2.) 100-120 deg C;

DOI:10.1021/ja00204a029

upstream raw materials:

chlorodibromomethane

(+)-1-bromo-1-chloro-1-fluoro-propan-2-one

(-)-1-bromo-1-chloro-1-fluoro-propan-2-one

Fluorochlorobromoacetic acid