4-Bromo-3,5-dichlorobenzonitrile

Base Information

• Chemical Name: 4-Bromo-3,5-dichlorobenzonitrile
• CAS No.: 1160574-40-2
• Molecular Formula: C₇H₂BrCl₂N
• Molecular Weight: 250.91
• DSSTox Substance ID: DTXSID101302072
• Mol file: 1160574-40-2.mol

Synonyms:4-Bromo-3,5-dichlorobenzonitrile;1160574-40-2;SCHEMBL9515292;DTXSID101302072;MFCD11845898;AKOS005061417;CS-0377306;EN300-137374;F83914;Z1269172246

Chemical Property of 4-Bromo-3,5-dichlorobenzonitrile

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 248.87477
• Heavy Atom Count: 11
• Complexity: 176

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Cl)Br)Cl)C#N

Technology Process of 4-Bromo-3,5-dichlorobenzonitrile

There total 1 articles about 4-Bromo-3,5-dichlorobenzonitrile 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: 87.7%

4-amino-3,5-dichlorobenzonitrile (78473-00-4) → 4-bromo-3,5-dichlorobenzonitrile (1160574-40-2)

Guidance literature:

With n-Amyl nitrite; copper(ll) bromide; In acetonitrile; at 0 - 20 ℃;

DOI:10.1016/j.ejmech.2020.112536

Reference yield:

4-bromo-3,5-dichlorobenzonitrile (1160574-40-2) + (S)-(5-(2-(2,6-dichlorobenzamido)-3-methoxy-3-oxopropyl)quinolin-8-yl)boronic acid → methyl (S)-3-(8-(2,6-dichloro-4-cyanophenyl)quinolin-5-yl)-2-(2,6-dichlorobenzamido)propanoate

Guidance literature:

With potassium phosphate; methanesulfonic acid(2-dicyclohexylphosphino-2′,4′,6′-triisopropyl-1,1′-biphenyl)[2-(2′-amino-1,1′-biphenyl)]palladium(II); In 1,2-dimethoxyethane; water; at 90 ℃; for 0.5h; Inert atmosphere;

Reference yield:

1,4-dioxane (123-91-1,28347-88-8,28347-91-3,39449-24-6,54841-74-6) + 4-bromo-3,5-dichlorobenzonitrile (1160574-40-2) → 4-bromo-3,5-dichlorobenzaldehyde (120077-80-7)

Guidance literature:

With diisobutylaluminium hydride; In water; toluene;

upstream raw materials:

4-amino-3,5-dichlorobenzonitrile

Downstream raw materials:

4-bromo-3,5-dichlorobenzaldehyde