4-Nitrobenzoyl bromide

Base Information

• Chemical Name: 4-Nitrobenzoyl bromide
• CAS No.: 13277-61-7
• Molecular Formula: C7H4BrNO3
• Molecular Weight: 230.018
• DSSTox Substance ID: DTXSID00547324
• Nikkaji Number: J1.044.219B
• Wikidata: Q82425471
• Mol file: 13277-61-7.mol

Synonyms:4-nitrobenzoyl bromide;13277-61-7;4-Nitro-benzoyl bromide;SCHEMBL1813256;DTXSID00547324;KXLZZEPFQYGUPZ-UHFFFAOYSA-N

Chemical Property of 4-Nitrobenzoyl bromide

Chemical Property:

• PSA: 62.89000
• LogP: 2.65310
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 228.93746
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)Br)[N+](=O)[O-]

Technology Process of 4-Nitrobenzoyl bromide

There total 6 articles about 4-Nitrobenzoyl 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:

4-nitro-benzoic acid (62-23-7) → p-Nitrobenzoyl bromide (13277-61-7)

Guidance literature:

With sulfurous dibromide;

DOI:10.1055/s-1973-22269

Reference yield:

4-nitrobenzaldehdye (555-16-8) → p-Nitrobenzoyl bromide (13277-61-7)

Guidance literature:

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

DOI:10.1039/c8nj01085d

Reference yield:

Oxalyl bromide (15219-34-8) → p-Nitrobenzoyl bromide (13277-61-7)

Guidance literature:

With benzene;

upstream raw materials:

4-nitro-benzoyl chloride

4-nitro-benzoic acid

Oxalyl bromide

C₇H₄BrNO₂

Downstream raw materials:

4-nitro-benzoic acid-(4-bromo-butyl ester)

p-Nitrophenyloxirane

cyclopropylmethyl p-nitrobenzoate

isobutyl p-nitrobenzoate

Refernces

• 1、 Kwon, Young-Do,La, Minh Thanh,Kim, Hee-Kwon. "Aerobic oxidative esterification and thioesterification of aldehydes using dibromoisocyanuric acid under mild conditions: No metal catalysts required". . p. 10833 - 10841. Retrieved 2018/07/05.
• 2、 Da Cunha Sindra, Haryadylla,De Mattos, Marcio C.S.. "Appel reaction of carboxylic acids with tribromoisocyanuric acid/triphenylphosphine: A mild and acid-free preparation of esters and amides". . p. 1129 - 1136. Retrieved 2016/07/06.