2-Amino-4-bromo-5-chlorobenzoic acid

Base Information

• Chemical Name: 2-Amino-4-bromo-5-chlorobenzoic acid
• CAS No.: 150812-32-1
• Molecular Formula: C7H5BrClNO2
• Molecular Weight: 250.479
• Hs Code.: 2922499990
• European Community (EC) Number: 424-700-4,630-855-0
• UNII: 7QBQ8GHL3R
• DSSTox Substance ID: DTXSID80571268
• Wikidata: Q72438490
• Mol file: 150812-32-1.mol

Synonyms:2-amino-4-bromo-5-chlorobenzoic acid;150812-32-1;4-Bromo-5-chloroanthranilic Acid;Benzoic acid, 2-amino-4-bromo-5-chloro-;2-Amino-4-bromo-5-chlorobenzoicacid;MFCD10000554;2-amino 4-bromo 5-chloro benzoic acid;7QBQ8GHL3R;SCHEMBL7023673;AMY6351;DTXSID80571268;AKOS015854726;CS-W006846;AC-32103;DS-12280;SY030560;EN300-253872;W-201343;2-Amino-4-bromo-5-chloro-benzoic acid;2-Amino-4-bromo-5-chlorobenzoic acid

Chemical Property of 2-Amino-4-bromo-5-chlorobenzoic acid

Chemical Property:

• Appearance/Colour: Tan solid
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.68
• Boiling Point: 385.726 °C at 760 mmHg
• PKA: 4.34±0.10(Predicted)
• Flash Point: 187.081 °C
• PSA: 63.32000
• Density: 1.892 g/cm³
• LogP: 2.96410
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: DMSO, Methanol
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 248.91922
• Heavy Atom Count: 12
• Complexity: 190

Purity/Quality:

99% ^*data from raw suppliers

4-Bromo-5-chloroanthranilicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1Cl)Br)N)C(=O)O

Technology Process of 2-Amino-4-bromo-5-chlorobenzoic acid

There total 6 articles about 2-Amino-4-bromo-5-chlorobenzoic 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: 96.0%

2,4-dibromo-5-chlorobenzoic acid → 2-amino-4-bromo-5-chlorobenzoic acid (150812-32-1)

Guidance literature:

With copper(I) oxide; ammonia; In water; at 30 - 40 ℃; for 0.5h;

DOI:10.3390/molecules22071086

Reference yield: 94.5%

4-bromo-5-chloro-2-nitrobenzoic acid → 2-amino-4-bromo-5-chlorobenzoic acid (150812-32-1)

Guidance literature:

With iron(III) chloride; hydrazine hydrate; In water; at 20 ℃; for 12h; Time;

Reference yield:

2,4-dibromo-5-chlorotoluene → 2-amino-4-bromo-5-chlorobenzoic acid (150812-32-1)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine; potassium hydroxide; potassium permanganate / water / 80 °C

2: ammonia; copper(I) oxide / water / 0.5 h / 30 - 40 °C

With pyridine; copper(I) oxide; potassium permanganate; ammonia; potassium hydroxide; In water;

DOI:10.3390/molecules22071086

upstream raw materials:

1-chloro-3-methylbenzene

4-Bromobenzoic acid

Downstream raw materials:

7-bromo-4, 6-dichloroquinazoline

7-bromo-6-chloro-3,4-dihydroquinazolin-4-one

4-hydroxy-6-chloro-7-bromo-quinazoline

halofuginone hydrobromide