Bromodifluoromethane

Base Information

• Chemical Name: Bromodifluoromethane
• CAS No.: 1511-62-2
• Deprecated CAS: 443095-54-3
• Molecular Formula: CH Br F2
• Molecular Weight: 130.92
• Hs Code.: 2903799090
• European Community (EC) Number: 216-149-1
• UNII: L1F4C2FIBR
• DSSTox Substance ID: DTXSID5061740
• Nikkaji Number: J100.425E
• Wikipedia: Bromodifluoromethane
• Wikidata: Q2354896,Q83053804
• Mol file: 1511-62-2.mol

Synonyms:Bromodifluoromethane;1511-62-2;Methane, bromodifluoro-;bromo(difluoro)methane;HBFC-22B1;BRN 1697004;CHBrF2;EINECS 216-149-1;UNII-L1F4C2FIBR;L1F4C2FIBR;4-01-00-00072 (Beilstein Handbook Reference);Difluorobromomethane;bromodifluoro-methane;Bromodifluoromethane 99%;C-H-Br-F2;SCHEMBL71826;DTXSID5061740;MFCD00077463;AKOS006229023;LS-89999;FT-0623244;A809125;Q2354896

Chemical Property of Bromodifluoromethane

Chemical Property:

• Melting Point: -145°C
• Refractive Index: 1.3349 (estimate)
• Boiling Point: -14,5°C
• PSA: 0.00000
• Density: 1,83 g/cm3
• LogP: 1.60390
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 129.92297
• Heavy Atom Count: 4
• Complexity: 13.5

Purity/Quality:

99% ^*data from raw suppliers

Bromodifluoromethane 99% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 59
• Safety Statements: 23-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(F)(F)Br
• Uses: Bromodifluoromethane is a toxic chemical substance of concern. A useful research chemical for organic synthesis and purification processes.

Technology Process of Bromodifluoromethane

There total 21 articles about Bromodifluoromethane 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: 92.0%

(bromodifluormethyl)triphenylphosphonium bromide (58201-66-4) → bromodifluoromethane (1511-62-2) + iododifluoromethane (1493-03-4)

Guidance literature:

With water; sodium iodide; In tetrahydrofuran; at 0 ℃; for 3h;

DOI:10.1016/S0022-1139(00)82669-X

Reference yield: 71.0%

dibromodifluoromethane (75-61-6) → bromodifluoromethane (1511-62-2)

Guidance literature:

dibromodifluoromethane; With triphenylphosphine; In N,N-dimethyl-formamide; for 0.5h;

With zinc; In N,N-dimethyl-formamide; at 20 ℃; for 0.25h;

DOI:10.1016/S0022-1139(02)00104-5

Reference yield: 47.0%

Vinyl bromide (593-60-2,25951-54-6) + 1,1,2,2,3,3-Hexafluoro-cyclopropane (931-91-9) → bromodifluoromethane (1511-62-2) + 1,1-difluoro-3-bromo-1-propene (60917-29-5) + 3-bromo-1,1,2,2-tetrafluorocyclobutane (374-29-8) + 2-bromo-1,1-difluorocyclopropane (51326-64-8)

Guidance literature:

at 290 ℃; for 0.5h; Further byproducts given. Yields of byproduct given; sealed tube in vacuo;

DOI:10.1016/S0022-1139(00)85225-2

upstream raw materials:

Difluoromethane

Chlorodifluoromethane

Bromoform

2,3-Dimethyl-2-butene

Downstream raw materials:

trifluoromethan

halon-1211

iododifluoromethane

carbon tetrafluoride

Refernces

• 1、 Okafo,Whittle. "". . . Retrieved 1974.
• 2、 Cox,Simmons. "". . p. 1625. Retrieved 1971.
• 3、 Davidson. "-". . p. 467. Retrieved 1951.
• 4、 Monfette, Sebastien,Fang, Yuan-Qing,Bio, Matthew M.,Brown, Adam R.,Crouch, Ian T.,Desrosiers, Jean-Nicolas,Duan, Shengquan,Hawkins, Joel M.,Hayward, Cheryl M.,Peperni, Nikita,Rainville, Joseph P.. "Continuous Process for Preparing the Difluoromethylating Reagent [(DMPU)2Zn(CF2H)2] and Improved Synthesis of the ICHF2Precursor". . p. 1077 - 1083. Retrieved 2020/05/19.