(2-Bromo-1-fluoroethyl)benzene

Base Information

• Chemical Name: (2-Bromo-1-fluoroethyl)benzene
• CAS No.: 1786-36-3
• Molecular Formula: C8H8BrF
• Molecular Weight: 203.054
• Hs Code.: 2902900000
• European Community (EC) Number: 837-663-8
• DSSTox Substance ID: DTXSID20521904
• Nikkaji Number: J389.704D
• Mol file: 1786-36-3.mol

Synonyms:(2-bromo-1-fluoroethyl)benzene;1786-36-3;1-(2-broMo-1-fluoroethyl)benzene;Benzene, (2-bromo-1-fluoroethyl)-;MFCD13689011;(2-Bromo-1-fluoro-ethyl)benzene;(2-bromo-1-fluoro-ethyl)-benzene;SCHEMBL9350831;AMY5461;DTXSID20521904;UIXWOQZATLBVFH-UHFFFAOYSA-N;BAA78636;AKOS015999540;DS-17852;SY113325;CS-0156517;EN300-133325;J-500646;F1967-2955

Chemical Property of (2-Bromo-1-fluoroethyl)benzene

Chemical Property:

• PSA: 0.00000
• LogP: 3.09210
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 201.97934
• Heavy Atom Count: 10
• Complexity: 89.3

Purity/Quality:

97% ^*data from raw suppliers

(2-Bromo-1-fluoroethyl)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(CBr)F
• Uses: (2-Bromo-1-fluoroethyl)benzene is used as a reactant in the bromofluorination of alkenes with N-bromosuccinimide combined with triethylamine tris(hydrofluoride).

Technology Process of (2-Bromo-1-fluoroethyl)benzene

There total 10 articles about (2-Bromo-1-fluoroethyl)benzene 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: 96.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) → (2-bromo-1-fluoroethyl)benzene (1786-36-3)

Guidance literature:

With N-Bromosuccinimide; trimethylamine trihydrofluoride; In dichloromethane;

DOI:10.1055/s-2000-7103

Reference yield: 71.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) → (2-bromo-1-fluoroethyl)benzene (1786-36-3) + (1,2-dibromoethyl)benzene (102921-26-6,93-52-7)

Guidance literature:

With N-Bromosuccinimide; tetra-n-butylammonium dihydrogen trifluoride; In dichloromethane; for 2h; Heating;

Reference yield: 56.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) → (2-bromo-1-fluoroethyl)benzene (1786-36-3) + 2-bromo-1-fluoro-2-phenylethane (55153-06-5) + (1,2-dibromoethyl)benzene (102921-26-6,93-52-7)

Guidance literature:

With N-Bromosuccinimide; tetrabutylammonium hydrogen bifluoride; In dichloromethane; for 19h; Ambient temperature;

DOI:10.1021/jo00279a013

upstream raw materials:

styrene

2-fluoro-2-phenylethanol

methyl hypobromite

dimethyl-N-bromoamine

Downstream raw materials:

α-fluorostyrene

Salpetersaeure-<2-fluor-2-phenyl-ethylester>

N_.N-Dimethyl-2-fluor-2-phenyl-aethylamin

phenyl-2 fluoro-2 azido-1 ethane