2-Bromo-4-hydroxybenzonitrile

Base Information

• Chemical Name: 2-Bromo-4-hydroxybenzonitrile
• CAS No.: 82380-17-4
• Molecular Formula: C7H4BrNO
• Molecular Weight: 198.019
• DSSTox Substance ID: DTXSID60516112
• Wikidata: Q82377373
• Mol file: 82380-17-4.mol

Synonyms:2-BROMO-4-HYDROXYBENZONITRILE;82380-17-4;Benzonitrile, 2-bromo-4-hydroxy-;MFCD15527339;2-bromo-4-hydroxy-benzonitrile;SCHEMBL3484514;DTXSID60516112;CGPTZCZFFUYDCB-UHFFFAOYSA-N;AC6875;AKOS022189962;MB14756;BS-25925;SY057515;CS-0133307;EN300-734294;A916977

Chemical Property of 2-Bromo-4-hydroxybenzonitrile

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 196.94763
• Heavy Atom Count: 10
• Complexity: 162

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1O)Br)C#N

Technology Process of 2-Bromo-4-hydroxybenzonitrile

There total 3 articles about 2-Bromo-4-hydroxybenzonitrile 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: 95.0%

2-bromo-4-fluorobenzonitrile (36282-26-5) → 2-bromo-4-hydroxybenzonitrile (82380-17-4)

Guidance literature:

2-bromo-4-fluorobenzonitrile; With 2-(methylsulfonyl)ethyl alcohol; sodium hydride; In N,N-dimethyl-formamide; at 0 - 20 ℃; Inert atmosphere;

With hydrogenchloride; water; pH=2;

Reference yield: 75.0%

2-bromo-4-methoxy benzonitrile (140860-51-1) → 2-bromo-4-hydroxybenzonitrile (82380-17-4)

Guidance literature:

With boron tribromide; In dichloromethane; at 50 ℃;

Reference yield:

→ 2-bromo-4-hydroxybenzonitrile (82380-17-4)

Guidance literature:

upstream raw materials:

2-bromo-4-fluorobenzonitrile

2-bromo-4-methoxy benzonitrile

Downstream raw materials:

4'-Pentyl-biphenyl-4-carboxylic acid 3-bromo-4-cyano-phenyl ester

4-(4-Pentyl-cyclohexyl)-benzoic acid 3-bromo-4-cyano-phenyl ester

2-bromo-4-hydroxybenzaldehyde

1,1-dimethyl-6-(4-nitrophenoxy)-1,3-dihydro-2-benzofuran