4-Bromo-3,5-dinitrobenzoic acid

Base Information

• Chemical Name: 4-Bromo-3,5-dinitrobenzoic acid
• CAS No.: 577-52-6
• Molecular Formula: C7H3BrN2O6
• Molecular Weight: 291.015
• Hs Code.: 2916399090
• European Community (EC) Number: 637-331-0
• Nikkaji Number: J94.970A
• Mol file: 577-52-6.mol

Synonyms:4-bromo-3,5-dinitrobenzoic acid;577-52-6;4-Brom-3.5-dinitrobenzoesaure;SCHEMBL8841185;MFCD00447908;AKOS024343018;CS-0366765;A846422

Chemical Property of 4-Bromo-3,5-dinitrobenzoic acid

Chemical Property:

• Boiling Point: 356.3 °C at 760 mmHg
• Flash Point: 169.3 °C
• PSA: 128.94000
• Density: 2.051 g/cm³
• LogP: 3.01010
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 289.91745
• Heavy Atom Count: 16
• Complexity: 300

Purity/Quality:

99% ^*data from raw suppliers

4-Bromo-3,5-dinitrobenzoicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Bromo-3,5-dinitrobenzoic acid

There total 7 articles about 4-Bromo-3,5-dinitrobenzoic acid 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-Bromobenzoic acid (586-76-5) → 4-bromo-3,5-dinitrobenzoic acid (577-52-6)

Guidance literature:

With sulfuric acid; nitric acid;

Reference yield:

4-bromo-3,5-dinitro-toluene (857001-06-0) → 4-bromo-3,5-dinitrobenzoic acid (577-52-6)

Guidance literature:

With potassium dichromate; sulfuric acid;

Reference yield:

4-Bromo-3-nitrotoluene (5326-34-1) → 4-bromo-3,5-dinitrobenzoic acid (577-52-6)

Guidance literature:

Multi-step reaction with 2 steps

1: nitric acid

2: potassium dichromate; diluted sulfuric acid

With potassium dichromate; sulfuric acid; nitric acid;

upstream raw materials:

4-Bromobenzoic acid

4-bromo-3,5-dinitro-toluene

sulfuric acid

nitric acid

Downstream raw materials:

2,2-diphenyl-1-(4-carboxy-2,6-dinitrophenyl)hydrazine

N,N-Diphenyl-N'-(2,6-dinitro-4-carboxy-phenyl)-hydrazyl

4-chloro-3,5-dinitrobenzoic acid

4-bromo-3,5-dinitro-benzoic acid ethyl ester

Refernces

• 1、 Manka, Jason T.,Guo, Fengli,Huang, Jianping,Yin, Huiyong,Farrar, John M.,Sienkowska, Monika,Benin, Vladimir,Kaszynski, Piotr. "Synthesis of Polyfunctionalized Biphenyls as Intermediates for a New Class of Liquid Crystals". . p. 9574 - 9588. Retrieved 2007/10/03.