4-Amino-3,5-dibromobenzoic acid

Base Information

• Chemical Name: 4-Amino-3,5-dibromobenzoic acid
• CAS No.: 4123-72-2
• Molecular Formula: C7H5Br2NO2
• Molecular Weight: 294.93
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID00474767
• Nikkaji Number: J80.757E
• Wikidata: Q72435607
• Mol file: 4123-72-2.mol

Synonyms:4-amino-3,5-dibromobenzoic acid;4123-72-2;Benzoic acid, 4-amino-3,5-dibromo-;MFCD00075845;3,5-dibromo-p-aminobenzoic acid;3,5-dibromo-4-aminobenzoic acid;AE-641/00784039;SCHEMBL865991;4-Amino-3,5-dibromobenzoicacid;DTXSID00474767;VWYQFZKTKAMCLU-UHFFFAOYSA-N;4-Amino-3,5-dibromo-benzoic acid;AKOS015919572;DS-1640;AC-23738;SY033641;AM20080737;CS-0099383;FT-0602726;A20124;EN300-105793;Z1269109260

Chemical Property of 4-Amino-3,5-dibromobenzoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 330 °C (decomp)
• Refractive Index: 1.7
• Boiling Point: 391.108 °C at 760 mmHg
• PKA: 4.08±0.10(Predicted)
• Flash Point: 190.336 °C
• PSA: 63.32000
• Density: 2.159 g/cm³
• LogP: 3.07320
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 294.86665
• Heavy Atom Count: 12
• Complexity: 176

Purity/Quality:

98%min ^*data from raw suppliers

4-Amino-3,5-dibromobenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Br)N)Br)C(=O)O

Technology Process of 4-Amino-3,5-dibromobenzoic acid

There total 10 articles about 4-Amino-3,5-dibromobenzoic 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: 93.0%

4-amino-3-bromo-benzoic acid (6311-37-1) → 4-amino-3,5-dibromobenzoic acid (4123-72-2)

Guidance literature:

With bromine; In tetrachloromethane; at 20 ℃; Cooling with ice;

DOI:10.1134/S1070427209090122

Reference yield: 84.0%

→ 4-amino-3,5-dibromobenzoic acid (4123-72-2)

Guidance literature:

With sodium persulfate; sodium bromide; In water; at 20 ℃; for 5h; Irradiation;

Reference yield:

4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) → 4-amino-3,5-dibromobenzoic acid (4123-72-2) + 2,4,6-tribromoaniline (147-82-0)

Guidance literature:

upstream raw materials:

4-acetylamino-3,5-dibromo-benzoic acid

methyl 3,5-dibromo-4-aminobenzoate

hydrogen bromide

dihydrogen peroxide

Downstream raw materials:

4-amino-3,5-dibromo-benzoic acid chloride

methyl 3,5-dibromo-4-aminobenzoate

3,5-dibromo-4-chlorobenzaldehyde

4-amino-3,5-dimethoxybenzoic acid

Refernces

• 1、 Pingali, Subramanya R.K.,Madhav, Monika,Jursic, Branko S.. "An efficient regioselective NBS aromatic bromination in the presence of an ionic liquid". experimental part. p. 1383 - 1385. Retrieved 2010/04/25.
• 2、 Ozasa, Shigeru,Fujioka, Yasuhiro,Fujiwara, Michiko,Ibuki, Eiichi. "Syntheses and Physical Properties of Several Octiphenyls and a Septiphenyl". . p. 3210 - 3222. Retrieved 2007/10/02.