4-Benzyl-3-chlorophenol

Base Information

• Chemical Name: 4-Benzyl-3-chlorophenol
• CAS No.: 67601-25-6
• Molecular Formula: C13H11ClO
• Molecular Weight: 218.683
• DSSTox Substance ID: DTXSID60517063
• Nikkaji Number: J801.769G
• Wikidata: Q82378802
• Mol file: 67601-25-6.mol

Synonyms:4-Benzyl-3-chlorophenol;67601-25-6;SCHEMBL11718847;DTXSID60517063

Chemical Property of 4-Benzyl-3-chlorophenol

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 218.0498427
• Heavy Atom Count: 15
• Complexity: 189

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC2=C(C=C(C=C2)O)Cl

Technology Process of 4-Benzyl-3-chlorophenol

There total 1 articles about 4-Benzyl-3-chlorophenol 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: 0.6%

3-monochlorophenol (108-43-0) + benzyl bromide (100-39-0) → 2-benzyl-5-chlorophenol (56874-35-2) + 2,4-dibenzyl-5-chlorophenol + 4-benzyl-3-chlorophenol (67601-25-6)

Guidance literature:

With zinc(II) chloride; at 60 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.bmcl.2016.05.002

upstream raw materials:

3-monochlorophenol

benzyl bromide