2-(4-Chloro-2,6-dinitrophenyl)acetic acid

Base Information

• Chemical Name: 2-(4-Chloro-2,6-dinitrophenyl)acetic acid
• CAS No.: 328014-91-1
• Molecular Formula: C₈H₅ClN₂O₆
• Molecular Weight: 260.59
• DSSTox Substance ID: DTXSID50391935
• Wikidata: Q82189753
• Mol file: 328014-91-1.mol

Synonyms:2-(4-chloro-2,6-dinitrophenyl)acetic acid;328014-91-1;4-Chloro-2,6-dinitrobenzeneacetic acid;Oprea1_683921;DTXSID50391935;2-(4-chloranyl-2,6-dinitro-phenyl)ethanoic acid;A821423

Chemical Property of 2-(4-Chloro-2,6-dinitrophenyl)acetic acid

Chemical Property:

• PSA: 128.94000
• LogP: 2.82990
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 259.9836136
• Heavy Atom Count: 17
• Complexity: 314

Purity/Quality:

97% ^*data from raw suppliers

2-(4-CHLORO-2,6-DINITROPHENYL)ACETIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(4-Chloro-2,6-dinitrophenyl)acetic acid

There total 4 articles about 2-(4-Chloro-2,6-dinitrophenyl)acetic 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:

4-chlorophenylacetic Acid (1878-66-6) → (4-chloro-2,6-dinitro-phenyl)-acetic acid (328014-91-1)

Guidance literature:

With nitric acid;

Reference yield:

2-(4-chloro-2,6-dinitro-phenyl)-acetoacetic acid ethyl ester (857559-55-8) → (4-chloro-2,6-dinitro-phenyl)-acetic acid (328014-91-1)

Guidance literature:

With potassium hydroxide;

Reference yield:

2,5-dichloro-1,3-dinitrobenzene (2213-82-3) → (4-chloro-2,6-dinitro-phenyl)-acetic acid (328014-91-1)

Guidance literature:

Multi-step reaction with 2 steps

2: aq.-ethanolic KOH-solution

With potassium hydroxide;

upstream raw materials:

4-chlorophenylacetic Acid

2-(4-chloro-2,6-dinitro-phenyl)-acetoacetic acid ethyl ester

2,5-dichloro-1,3-dinitrobenzene

2,5-dichloronitrobenzene

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