Benzoyl bromide

Base Information

• Chemical Name: Benzoyl bromide
• CAS No.: 618-32-6
• Molecular Formula: C7H5BrO
• Molecular Weight: 185.02
• Hs Code.: 2916.39
• European Community (EC) Number: 210-544-2
• UNII: E79YZ864U3
• DSSTox Substance ID: DTXSID7060677
• Nikkaji Number: J43.489B
• Wikidata: Q62449071
• Mol file: 618-32-6.mol

Synonyms:benzoyl bromide

Chemical Property of Benzoyl bromide

Chemical Property:

• Appearance/Colour: clear light orange liquid
• Vapor Pressure: 0.125mmHg at 25°C
• Melting Point: -24 °C
• Refractive Index: n20/D 1.589(lit.)
• Boiling Point: 218.5 °C at 760 mmHg
• Flash Point: 89.7 °C
• PSA: 17.07000
• Density: 1.572 g/cm³
• LogP: 2.22170
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 183.95238
• Heavy Atom Count: 9
• Complexity: 106

Purity/Quality:

Benzoyl Bromide >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 14-34-36/37-37
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)Br
• Uses: Benzoyl bromide is a useful research chemical compound. Benzoyl bromide was used to study the kinetics of solvolysis of benzoyl halides in microemulsions of sodium bis(2-ethylhexyl)sulfosuccinate/isooctane/water at 25°C.

Technology Process of Benzoyl bromide

There total 54 articles about Benzoyl 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: 100.0%

benzaldehyde (100-52-7) → Benzoyl bromide (618-32-6)

Guidance literature:

With dibromoisocyanuric acid; In dichloromethane; at 20 ℃; for 5h; Solvent;

DOI:10.1039/c8nj01085d

Reference yield: 90.0%

benzoic acid (65-85-0,8013-63-6) → Benzoyl bromide (618-32-6)

Guidance literature:

With bromine; triphenylphosphine; In dichloromethane; for 0.25h; Ambient temperature;

Reference yield:

dibenzyl ether (103-50-4) → Benzoyl bromide (618-32-6) + benzyl bromide (100-39-0)

Guidance literature:

With bromine;

upstream raw materials:

sodium benzoate

Oxalyl bromide

dibenzyl ether

benzoyl chloride

Downstream raw materials:

benzoicacid 4-bromo-butyl ester

2-diazo-3-oxo-3-phenyl-propionic acid methyl ester

α-Bromobenzyl benzoate

ethyl 3-oxo-3-phenylpropionate

Refernces

• 1、 Kianmehr, Ebrahim,Afaridoun, Hadi. "Cross-dehydrogenative coupling of acetanilides with aromatic aldehydes". . p. 4319 - 4323. Retrieved 2020/03/26.
• 2、 Kang, Soosung,La, Minh Thanh,Kim, Hee-Kwon. "Convenient metal-free direct oxidative amidation of aldehyde using dibromoisocyanuric acid under mild conditions". supporting information. p. 3541 - 3546. Retrieved 2018/08/29.