6-Amino-2-bromo-3-chlorobenzoic acid

Base Information

• Chemical Name: 6-Amino-2-bromo-3-chlorobenzoic acid
• CAS No.: 65971-76-8
• Molecular Formula: C7H5BrClNO2
• Molecular Weight: 250.48
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID70435729
• Wikidata: Q82250815
• Mol file: 65971-76-8.mol

Synonyms:6-amino-2-bromo-3-chlorobenzoic acid;65971-76-8;2-BROMO-3-CHLORO-6-AMINOBENZOIC ACID;Benzoic acid, 6-amino-2-bromo-3-chloro-;MFCD07787451;2-Bromo-3-chloro-6-amino benzoic acid;SCHEMBL7014413;DTXSID70435729;AMY14052;6-amino-2-bromo-3-chlorobenzoicacid;AKOS016845713;DS-11881;SY107694;CS-0098108;FT-0648044;C76067;A835291;J-508208

Chemical Property of 6-Amino-2-bromo-3-chlorobenzoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.68
• Boiling Point: 382.404 °C at 760 mmHg
• PKA: 0.48±0.10(Predicted)
• Flash Point: 185.071 °C
• PSA: 63.32000
• Density: 1.892 g/cm³
• LogP: 2.96410
• Storage Temp.: Sealed in dry,Room Temperature
• 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:

98%min ^*data from raw suppliers

6-Amino-2-bromo-3-chlorobenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1N)C(=O)O)Br)Cl

Technology Process of 6-Amino-2-bromo-3-chlorobenzoic acid

There total 5 articles about 6-Amino-2-bromo-3-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: 78.0%

4-bromo-5-chloroindoline-2,3-dione (65971-75-7) → 6-amino-2-bromo-3-chlorobenzoic acid (65971-76-8)

Guidance literature:

With sodium hydroxide; dihydrogen peroxide; at 80 ℃; for 1h;

DOI:10.1021/jm00058a010

Reference yield:

3-bromo-4-chloroaniline (823-54-1) → 6-amino-2-bromo-3-chlorobenzoic acid (65971-76-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 77 percent / sodium sulfate, conc. HCl, hydroxylamine hydrochloride / H₂O / 1 h / 100 °C

2: 58 percent / conc. H₂SO₄ / 1 h / 80 °C

3: 78 percent / 3 N aq. NaOH, 30percent H₂O₂ / 1 h / 80 °C

With hydrogenchloride; sodium hydroxide; sulfuric acid; hydroxylamine hydrochloride; dihydrogen peroxide; sodium sulfate; In water;

DOI:10.1021/jm00058a010

Reference yield:

3-bromo-4-chloro-α-isonitrosoacetanilide → 6-amino-2-bromo-3-chlorobenzoic acid (65971-76-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 58 percent / conc. H₂SO₄ / 1 h / 80 °C

2: 78 percent / 3 N aq. NaOH, 30percent H₂O₂ / 1 h / 80 °C

With sodium hydroxide; sulfuric acid; dihydrogen peroxide;

DOI:10.1021/jm00058a010

upstream raw materials:

4-bromo-5-chloroindoline-2,3-dione

3-bromo-4-chloroaniline

4-bromoisatin

Refernces

• 1、 -. "FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF". Page 360. . Retrieved 2010/02/06.