4-Chloro-2-(4-methoxyanilino)-5-nitrobenzoic acid

Base Information

• Chemical Name: 4-Chloro-2-(4-methoxyanilino)-5-nitrobenzoic acid
• CAS No.: 100622-86-4
• Molecular Formula: C₁₄H₁₁ClN₂O₅
• Molecular Weight: 322.705
• DSSTox Substance ID: DTXSID10566102
• Wikidata: Q82451557
• Mol file: 100622-86-4.mol

Synonyms:4-Chloro-2-(4-methoxyanilino)-5-nitrobenzoic acid;100622-86-4;DTXSID10566102

Chemical Property of 4-Chloro-2-(4-methoxyanilino)-5-nitrobenzoic acid

Chemical Property:

• Vapor Pressure: 1.41E-10mmHg at 25°C
• Boiling Point: 494°C at 760 mmHg
• Flash Point: 252.6°C
• PSA: 104.38000
• Density: 1.495g/cm³
• LogP: 4.29480
• XLogP3: 4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 322.0356491
• Heavy Atom Count: 22
• Complexity: 409

Purity/Quality:

4-CHLORO-2-(4-METHOXYANILINO)-5-NITROBENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)NC2=CC(=C(C=C2C(=O)O)[N+](=O)[O-])Cl

Technology Process of 4-Chloro-2-(4-methoxyanilino)-5-nitrobenzoic acid

There total 2 articles about 4-Chloro-2-(4-methoxyanilino)-5-nitrobenzoic 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:

2,4-dichloro-5-nitrobenzoic acid (19861-62-2) + 4-methoxy-aniline (104-94-9) → (5-Chlor-4-nitro-2-carboxy-phenyl)-(4-methoxy-phenyl)-amin (100622-86-4)

Guidance literature:

With potassium acetate; copper; potassium carbonate; weiteres Reagens: Butanol-⁽¹⁾;

Reference yield:

→ (5-Chlor-4-nitro-2-carboxy-phenyl)-(4-methoxy-phenyl)-amin (100622-86-4)

Guidance literature:

2,4-Dichlor-5-nitro-benzoesaeure, p-Anisidin, wss. K2CO3, sd. W.;

Reference yield:

(5-Chlor-4-nitro-2-carboxy-phenyl)-(4-methoxy-phenyl)-amin (100622-86-4) → 3,9-dichloro-7-methoxy-2-nitro-acridine (42326-32-9)

Guidance literature:

With trichlorophosphate;

upstream raw materials:

2,4-dichloro-5-nitrobenzoic acid

4-methoxy-aniline

Downstream raw materials:

3,9-dichloro-7-methoxy-2-nitro-acridine