2-Carbamoyl-3,4,5,6-tetrachlorobenzoic acid

Base Information

• Chemical Name: 2-Carbamoyl-3,4,5,6-tetrachlorobenzoic acid
• CAS No.: 56113-42-9
• Molecular Formula: C8H3 Cl4 N O3
• Molecular Weight: 302.929
• NSC Number: 117936
• DSSTox Substance ID: DTXSID40879272
• Nikkaji Number: J27.018K
• Wikidata: Q82861346
• Mol file: 56113-42-9.mol

Synonyms:2-carbamoyl-3,4,5,6-tetrachlorobenzoic acid;56113-42-9;Tetrachlorophthalic acid monoamide;NSC 117936;NSC117936;SCHEMBL8918066;DTXSID40879272;NSC-117936

Chemical Property of 2-Carbamoyl-3,4,5,6-tetrachlorobenzoic acid

Chemical Property:

• Vapor Pressure: 5.17E-05mmHg at 25°C
• Boiling Point: 334.1°Cat760mmHg
• Flash Point: 155.9°C
• PSA: 80.39000
• Density: 1.798g/cm³
• LogP: 3.79760
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 302.883754
• Heavy Atom Count: 16
• Complexity: 314

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Carbamoyl-3,4,5,6-tetrachlorobenzoic acid

There total 1 articles about 2-Carbamoyl-3,4,5,6-tetrachlorobenzoic 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:

→ tetrachlorophthalamic acid (56113-42-9)

Guidance literature:

Tetrachlorphthalsaeureanhydrid, NH3, Acn. (20-60grad);

Reference yield:

tetrachlorophthalamic acid (56113-42-9) → 2,3,4,5-tetrachloroaniline (634-83-3)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOH-solution; alkaline sodium hypochlorite / Erwaermen auf 70-80grad

2: beim Erhitzen ueber den Schmelzpunkt

With sodium hydroxide; alkaline sodium hypochlorite;

Reference yield:

tetrachlorophthalamic acid (56113-42-9) → 3,4,5,6-tetrachloranthranilic acid (6923-69-9)

Guidance literature:

With sodium hydroxide; alkaline sodium hypochlorite; Erwaermen auf 70-80grad;

Downstream raw materials:

3,4,5,6-tetrachloranthranilic acid

2,3,4,5-tetrachloroaniline