2-Amino-3,4,5,6-tetrabromobenzoic acid

Base Information

• Chemical Name: 2-Amino-3,4,5,6-tetrabromobenzoic acid
• CAS No.: 54098-90-7
• Molecular Formula: C7H3Br4NO2
• Molecular Weight: 452.72000
• European Community (EC) Number: 654-872-8
• DSSTox Substance ID: DTXSID30401026
• Nikkaji Number: J89.841D
• Wikidata: Q82204090
• Mol file: 54098-90-7.mol

Synonyms:2-amino-3,4,5,6-tetrabromobenzoic acid;54098-90-7;tetrabromoanthranilic acid;Benzoic acid, 2-amino-3,4,5,6-tetrabromo-;DTXSID30401026;AKOS024429182

Chemical Property of 2-Amino-3,4,5,6-tetrabromobenzoic acid

Chemical Property:

• PSA: 63.32000
• LogP: 4.59820
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 452.68563
• Heavy Atom Count: 14
• Complexity: 240

Purity/Quality:

99% ^*data from raw suppliers

2-AMINO-3,4,5,6-TETRABROMO-BENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2-Amino-3,4,5,6-tetrabromobenzoic acid

There total 3 articles about 2-Amino-3,4,5,6-tetrabromobenzoic 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:

tetrabromophthalamic acid sodium salt → tetrabromoanthranilic acid (54098-90-7)

Guidance literature:

With bromine; sodium hydroxide; In water; at 0 ℃; for 3.25h; Heating;

DOI:10.1016/j.tetlet.2016.10.041

Reference yield:

3,4,5,6-tetrabromophthalimide (24407-32-7) → tetrabromoanthranilic acid (54098-90-7)

Guidance literature:

With potassium hydroxide; potassium hypochlorite;

Reference yield:

Tetrabromophthalic anhydride (632-79-1) → tetrabromoanthranilic acid (54098-90-7)

Guidance literature:

Multistep reaction; (i) aq. NH₃, NaOH, (ii) aq. NaOBr;

DOI:10.1039/j39710000567

upstream raw materials:

3,4,5,6-tetrabromophthalimide

Tetrabromophthalic anhydride

Downstream raw materials:

1,2,3,4-Tetrabromo-5-(3-methyl-butoxy)-benzene

Ethyl-2,3,4,5-tetrabromphenyl-ether

1,2,3,4-Tetrabromo-9-(2,4,6-trimethylbenzyl)triptycene

1,2,3,4-Tetrabrom-5,8-dimethyl-9-benzyl-triptycen