2-Bromobenzoyl cyanide

Base Information

• Chemical Name: 2-Bromobenzoyl cyanide
• CAS No.: 88562-26-9
• Molecular Formula: C8H4 Br N O
• Molecular Weight: 210.03
• DSSTox Substance ID: DTXSID10514204
• Nikkaji Number: J1.414.011E
• Wikidata: Q82374385
• Mol file: 88562-26-9.mol

Synonyms:2-Bromobenzoyl cyanide;88562-26-9;2-(2-BROMOPHENYL)-2-OXOACETONITRILE;o-bromo benzoyl cyanide;SCHEMBL9579742;DTXSID10514204;ILFJVILOZNSZQQ-UHFFFAOYSA-N;2-Bromobenzene-1-carbonyl cyanide;AB1240;MFCD00193629;A842707

Chemical Property of 2-Bromobenzoyl cyanide

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 208.94763
• Heavy Atom Count: 11
• Complexity: 205

Purity/Quality:

97% ^*data from raw suppliers

2-(2-BROMOPHENYL)-2-OXOACETONITRILE 95.00% ^*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(=O)C#N)Br

Technology Process of 2-Bromobenzoyl cyanide

There total 7 articles about 2-Bromobenzoyl cyanide 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: 81.0%

2-(2-bromophenyl)-2-hydroxyacetonitrile (52923-21-4,1269472-47-0,548478-30-4) → 2-bromobenzoyl cyanide (88562-26-9) + ortho-bromobenzaldehyde (6630-33-7)

Guidance literature:

With (η(6)-benzene)chloro[1,2-bis(diphenylphosphino)ethane]ruthenium(II) chloride; In benzene; at 120 ℃; for 24h; Inert atmosphere; Schlenk technique; Sealed tube;

DOI:10.1002/adsc.201700786

Reference yield: 62.0%

copper(l) cyanide + 2-bromobenzoic-acid (88-65-3) → 2-bromobenzoyl cyanide (88562-26-9)

Guidance literature:

2-bromobenzoic-acid; With oxalyl dichloride; at 25 ℃; for 2h; Inert atmosphere;

copper(l) cyanide; In acetonitrile; at 85 ℃; for 2h; Inert atmosphere;

Reference yield: 50.0%

copper(l) cyanide + 2-bromobenzoic acid chloride (7154-66-7) → 2-bromobenzoyl cyanide (88562-26-9)

Guidance literature:

With sodium iodide; In dichloromethane; acetonitrile;

upstream raw materials:

bromo-(2-bromo-phenyl)-nitro-acetic acid amide

silver(I) cyanide

2-bromobenzoic acid chloride

2-bromobenzoic-acid

Downstream raw materials:

2-bromo-N'-phenylbenzohydrazide

3-(2-bromophenyl)-3-oxopropanenitrile

1-(2-bromophenyl)-butane-1,3-dione

1-(2-bromophenyl)-buta-2,3-dien-1-one