2,5-Dichloro-3,6-dimethylbenzoic acid

Base Information

• Chemical Name: 2,5-Dichloro-3,6-dimethylbenzoic acid
• CAS No.: 38319-81-2
• Molecular Formula: C9H8Cl2O2
• Molecular Weight: 219.067
• NSC Number: 141509
• DSSTox Substance ID: DTXSID80301163
• Wikidata: Q82044798
• Mol file: 38319-81-2.mol

Synonyms:38319-81-2;2,5-dichloro-3,6-dimethylbenzoic acid;NSC141509;SCHEMBL10909752;DTXSID80301163;NSC-141509

Chemical Property of 2,5-Dichloro-3,6-dimethylbenzoic acid

Chemical Property:

• Vapor Pressure: 7.25E-05mmHg at 25°C
• Boiling Point: 329.2°Cat760mmHg
• Flash Point: 152.9°C
• Density: 1.382g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 217.9901349
• Heavy Atom Count: 13
• Complexity: 208

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1Cl)C(=O)O)C)Cl

Technology Process of 2,5-Dichloro-3,6-dimethylbenzoic acid

There total 2 articles about 2,5-Dichloro-3,6-dimethylbenzoic 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:

2,5-dichloro-3,6-dimethyl-aniline (81742-11-2) → 2,5-dichloro-3,6-dimethylbenzoic acid (38319-81-2)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) nBuONO, H₂SO₄, (ii) /BRN= 3587244/

2: (i) aq. H₂O₂, NaOH, (ii) aq. NaNO₂, H₂SO₄, (iii) aq. NaHCO₃

DOI:10.1246/bcsj.45.2565

Reference yield:

2,5-Dichlor-3,6-dimethylbenzonitril (38319-76-5) → 2,5-dichloro-3,6-dimethylbenzoic acid (38319-81-2)

Guidance literature:

Multistep reaction; (i) aq. H₂O₂, NaOH, (ii) aq. NaNO₂, H₂SO₄, (iii) aq. NaHCO₃;

DOI:10.1246/bcsj.45.2565

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + 2,5-dichloro-3,6-dimethylbenzoic acid (38319-81-2) → 2,5-Dichloro-3,6-dimethyl-benzoic acid methyl ester (38319-82-3)

Guidance literature:

DOI:10.1246/bcsj.45.2565

upstream raw materials:

2,5-Dichlor-3,6-dimethylbenzonitril

2,5-dichloro-3,6-dimethyl-aniline

Downstream raw materials:

2,5-Dichloro-3,6-dimethyl-benzoic acid methyl ester

1-(2,5-Dichloro-3,6-dimethyl-phenyl)-2-methyl-propan-1-one

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