Tribromofluoromethane

Base Information

• Chemical Name: Tribromofluoromethane
• CAS No.: 353-54-8
• Molecular Formula: CBr3F
• Molecular Weight: 270.721
• Hs Code.: 29034700
• European Community (EC) Number: 206-535-8
• DSSTox Substance ID: DTXSID2059859
• Nikkaji Number: J112.427G
• Wikipedia: Tribromofluoromethane
• Wikidata: Q843735
• Mol file: 353-54-8.mol

Synonyms:Tribromofluoromethane;Fluorotribromomethane;353-54-8;tribromo(fluoro)methane;Methane, tribromofluoro-;CBr3F;EINECS 206-535-8;Tribromo-fluoro-methane;fluortribrommethan;Fluorotribromomethane (FC 11B3);CFBr3;Fluoro tribromo methane;C-Br3-F;Tribromofluoromethane, 99%;SCHEMBL1037620;DTXSID2059859;tris(bromanyl)-fluoranyl-methane;BCP15230;MFCD00000366;AKOS007930398;CS-0046858;FT-0676457;T2304;EN300-341885;W16226;A822748;Q843735

Chemical Property of Tribromofluoromethane

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 37.1mmHg at 25°C
• Melting Point: -73.6 °C(lit.)
• Refractive Index: n20/D 1.525(lit.)
• Boiling Point: 103.6 °C at 760 mmHg
• Flash Point: 16.5 °C
• PSA: 0.00000
• Density: 3.005 g/cm³
• LogP: 2.75190
• Water Solubility.: 399.8mg/L(25 oC)
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 269.75137
• Heavy Atom Count: 5
• Complexity: 28.4

Purity/Quality:

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

Tribromofluoromethane 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Chlorofluorocarbons
• Canonical SMILES: C(F)(Br)(Br)Br
• Uses: Tribromofluoromethane (fluorotribromomethane) was used in the synthesis of dibromofluoromethyllithium that reacted with an aldehyde or ketone to give fluorinated alcohol.

Technology Process of Tribromofluoromethane

There total 15 articles about Tribromofluoromethane 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: 90.0%

carbon tetrabromide (558-13-4) → tribromofluoromethane (353-54-8)

Guidance literature:

With bromine; antimony(III) fluoride;

Reference yield:

carbon tetrabromide (558-13-4) → dibromodifluoromethane (75-61-6) + tribromofluoromethane (353-54-8)

Guidance literature:

With bromine trifluoride; bromine; at 0 ℃;

Reference yield:

iodine pentafluoride (676353-70-1,51096-45-8,7783-66-6) + carbon tetrabromide (558-13-4) → carbon tetrafluoride (75-73-0) + dibromodifluoromethane (75-61-6) + tribromofluoromethane (353-54-8)

Guidance literature:

In neat (no solvent); reaction with IF5 on slow heating to 90°C for 3 hours;;

DOI:10.1039/JR9480002188

upstream raw materials:

5-bromo-2-hydroxy-benzoic acid methyl ester

carbon tetrabromide

trichlorofluoromethane

dibromofluoromethyltriphenylphosphonium bromide

Downstream raw materials:

(Z)-β-bromo-β-fluorostyrene

(E)-1-bromo-1-fluoro-2-phenylethylene

2,2-dibromo-2-fluoro-1-phenylethan-1-ol

2,2-dibromo-1-(4-cyanophenyl)-2-fluoroethanol

Refernces

• 1、 Che, Chi-Ming,Wu, Kai,Wu, Liang-Liang,Zhou, Cong-Ying. "Transition-Metal-Free C(sp2)–C(sp2) Cross-Coupling of Diazo Quinones with Catechol Boronic Esters". supporting information. p. 16202 - 16208. Retrieved 2020/07/17.
• 2、 Andrianova, Anastasia A.,Maslova, Yulia D.,Novikov, Maxim A.,Semenov, Sergei E.,Nefedov, Oleg M.. "(NHC)AgCl catalyzed bromofluorocyclopropanation of alkenes with CFBr2CO2Na". . p. 49 - 55. Retrieved 2018/03/08.