3-Chloro-5-(trifluoromethoxy)benzyl bromide

Base Information

• Chemical Name: 3-Chloro-5-(trifluoromethoxy)benzyl bromide
• CAS No.: 886503-33-9
• Molecular Formula: C8H5BrClF3O
• Molecular Weight: 289.479
• Hs Code.: 2909309090
• European Community (EC) Number: 679-364-3
• DSSTox Substance ID: DTXSID40590672
• Wikidata: Q82484309
• Mol file: 886503-33-9.mol

Synonyms:3-Chloro-5-(trifluoromethoxy)benzyl bromide;886503-33-9;1-(bromomethyl)-3-chloro-5-(trifluoromethoxy)benzene;SCHEMBL4065175;DTXSID40590672;MFCD06660311;AKOS015956897;JS-4481;3-Chloro-5-(trifluoromethoxy)benzylbromide;DB-121095;F85821;1-bromomethyl-3-chloro-5-trifluoromethoxy-benzene;1-(Bromomethyl)-3-chloro-5-(trifluoromethoxy)benzene, 3-(Bromomethyl)-5-chlorophenyl trifluoromethyl ether

Chemical Property of 3-Chloro-5-(trifluoromethoxy)benzyl bromide

Chemical Property:

• Refractive Index: 1.4980
• Boiling Point: 237.1±35.0 °C(Predicted)
• PSA: 9.23000
• Density: 1.690±0.06 g/cm3(Predicted)
• LogP: 4.13350
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 287.91644
• Heavy Atom Count: 14
• Complexity: 188

Purity/Quality:

97% ^*data from raw suppliers

3-Chloro-5-(trifluoromethoxy)benzyl bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1OC(F)(F)F)Cl)CBr

Technology Process of 3-Chloro-5-(trifluoromethoxy)benzyl bromide

There total 1 articles about 3-Chloro-5-(trifluoromethoxy)benzyl bromide 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: 89.0%

(3-chloro-5-trifluoromethoxy-phenyl)-methanol (433926-47-7) → 1-bromomethyl-3-chloro-5-trifluoromethoxy-benzene (886503-33-9)

Guidance literature:

With N-Bromosuccinimide; triphenylphosphine; In dichloromethane; at 0 - 20 ℃; for 1h;

Reference yield:

1-bromomethyl-3-chloro-5-trifluoromethoxy-benzene (886503-33-9) + methyl 1H-indole-7-carboxylate (93247-78-0) → C18H13ClF3NO3

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2010.04.065

upstream raw materials:

(3-chloro-5-trifluoromethoxy-phenyl)-methanol

Refernces