2-Amino-3,4-dichlorobenzoic acid

Base Information

• Chemical Name: 2-Amino-3,4-dichlorobenzoic acid
• CAS No.: 20776-62-9
• Molecular Formula: C7H5Cl2NO2
• Molecular Weight: 206.028
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID50402090
• Nikkaji Number: J83.026G
• Wikidata: Q82205454
• Mol file: 20776-62-9.mol

Synonyms:2-amino-3,4-dichlorobenzoic acid;20776-62-9;Benzoic acid, 2-amino-3,4-dichloro-;3,4-Dichloroanthranilic acid;SCHEMBL3667246;DTXSID50402090;Anthranilic acid, 3,4-dichloro-;LMFCCMCEVBFNHS-UHFFFAOYSA-N;MFCD00078315;STL183281;AKOS005133150;DS-5160;CS-0157197;FT-0611031;2-amino-3,4-dichlorobenzoic acid, AldrichCPR;EN300-43989;O10647;A919387;J-013616;Z362758768

Chemical Property of 2-Amino-3,4-dichlorobenzoic acid

Chemical Property:

• Vapor Pressure: 1.09E-05mmHg at 25°C
• Melting Point: 237-238 °C
• Boiling Point: 356.2oC at 760 mmHg
• PKA: 4.34±0.10(Predicted)
• Flash Point: 169.2oC
• PSA: 63.32000
• Density: 1.607g/cm3
• LogP: 2.85500
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 204.9697338
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

97% ^*data from raw suppliers

2-Amino-3,4-dichlorobenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1C(=O)O)N)Cl)Cl

Technology Process of 2-Amino-3,4-dichlorobenzoic acid

There total 3 articles about 2-Amino-3,4-dichlorobenzoic 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: 95.0%

6,7-Dichloro-1H-indole-2,3-dione (18711-12-1) → 2-amino-3,4-dichlorobenzoic acid (20776-62-9)

Guidance literature:

With potassium chloride; water; dihydrogen peroxide; potassium hydroxide; at 0 - 20 ℃; for 0.5h; Inert atmosphere;

Reference yield:

2,3-dichloroaniline (608-27-5) → 2-amino-3,4-dichlorobenzoic acid (20776-62-9)

Guidance literature:

Multi-step reaction with 3 steps

1: Na₂SO₄, hydroxylamine sulfate, concd. HCl / H₂O

2: CH₃SO₃H / 70 - 80 °C

3: KOH, KCl, 27percent H₂O₂ / 20 °C

With hydrogenchloride; potassium hydroxide; methanesulfonic acid; potassium chloride; dihydrogen peroxide; hydroxylamine sulfate; sodium sulfate; In water;

DOI:10.1021/jm00105a034

Reference yield:

→ 6-amino-2,3-dichlorobenzoic acid (20776-60-7) + 2-amino-3,4-dichlorobenzoic acid (20776-62-9)

Guidance literature:

With sodium carbonate;

upstream raw materials:

6,7-Dichloro-1H-indole-2,3-dione

2,3-dichloroaniline

Downstream raw materials:

3,4-dichloro-2-iodobenzoic acid

3,4-dichloro-2-(ethoxycarbonylamino)benzoic acid

3,4-dichloro-2-methoxycarbonylaminobenzoic acid

2-(2-Carboxymethyl-phenoxy)-3,4-dichloro-benzoic acid