1-Bromo-2-fluorocyclohexane

Base Information

• Chemical Name: 1-Bromo-2-fluorocyclohexane
• CAS No.: 656-57-5
• Molecular Formula: C6H10 Br F
• Molecular Weight: 181.048
• Hs Code.: 2903890090
• European Community (EC) Number: 678-232-2
• DSSTox Substance ID: DTXSID30938024
• Nikkaji Number: J1.758.029I
• Mol file: 656-57-5.mol

Synonyms:1-Bromo-2-fluorocyclohexane;656-57-5;Cyclohexane, 1-bromo-2-fluoro-, cis-;C6H10BrF;cis-1-Bromo-2-Fluorocyclohexane;trans-1-Bromo-2-Fluorocyclohexane;Cyclohexane, 1-bromo-2-fluoro-, trans-;1-bromo-2-fluoro-cyclohexane;SCHEMBL10541710;DTXSID30938024;MFCD01320789;AKOS006229585;PS-9819;1-Bromo-2-fluorocyclohexane, AldrichCPR;B3053;CS-0314637;FT-0676145;T71186;F1911-2865

Chemical Property of 1-Bromo-2-fluorocyclohexane

Chemical Property:

• Refractive Index: 1.4800 and le 1.4840
• Boiling Point: 166.7ºC at 760 mmHg
• Flash Point: 56.8 ºC
• PSA: 0.00000
• Density: 1.4 g/cm³
• LogP: 2.66200
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 179.99499
• Heavy Atom Count: 8
• Complexity: 74.9

Purity/Quality:

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

1-Bromo-2-fluorocyclohexane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xn
• Hazard Codes: F,Xn
• Statements: 22-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C(C1)F)Br

Technology Process of 1-Bromo-2-fluorocyclohexane

There total 7 articles about 1-Bromo-2-fluorocyclohexane 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: 75.0%

cyclohexene (110-83-8) → 1-bromo-2-fluorocyclohexane (656-57-5)

Guidance literature:

With calcium fluoride; 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; silver fluoride; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1246/cl.1988.1877

Reference yield:

cyclohexene (110-83-8) → 1,2-dibromocyclohexane (5401-62-7) + 1-bromo-2-fluorocyclohexane (656-57-5)

Guidance literature:

With tris(4-bromophenyl)aminium tetrafluoroborate; In acetonitrile; at 0 ℃; for 500h; Product distribution;

Reference yield:

cyclohexene (110-83-8) → 1-Br-2-OSF5-cyclohexane + 1-bromo-2-fluorocyclohexane (656-57-5)

Guidance literature:

With N-Bromosuccinimide; tetramethylammonium oxypentafluorosulfate; In acetonitrile; at 5 - 20 ℃;

upstream raw materials:

cyclohexene

Downstream raw materials:

tributyltin bromide

Refernces

• 1、 -. "Oxypentafluorosulfate compositions and processes for making them". Page/Page column 4. . Retrieved 2008/06/13.
• 2、 Markovskii, L. N.,Pashinnik, V. E.,Tovstenko, V. I.,Martynyuk, E. G.,Kramarenko, F. G.,et al.. "REACTIONS OF TRIS(DIALKYLAMINO)SULFONIUM TRIMETHYLDIFLUOROSILICATE WITH BROMINE AND IODINE". . p. 1708 - 1712. Retrieved 2007/10/02.