Methyl 2,4-dichlorobenzoate

Base Information

• Chemical Name: Methyl 2,4-dichlorobenzoate
• CAS No.: 35112-28-8
• Molecular Formula: C8H6Cl2O2
• Molecular Weight: 205.04
• Hs Code.: 29163990
• European Community (EC) Number: 252-374-1
• DSSTox Substance ID: DTXSID60188611
• Nikkaji Number: J45.884H
• Wikidata: Q63395370
• Mol file: 35112-28-8.mol

Synonyms:Methyl 2,4-dichlorobenzoate;35112-28-8;Benzoic acid, 2,4-dichloro-, methyl ester;2,4-Dichlorobenzoic Acid Methyl Ester;Methyl2,4-Dichlorobenzoate;METHYL-2,4-DICHLOROBENZOATE;EINECS 252-374-1;MFCD00085117;Methyl ester of 2,4-Dichlorobenzoic acid;SCHEMBL608814;methyl 2,4-Dichloro Benzoate;Methyl 2,4-dichlorobenzoate #;DTXSID60188611;Methyl 2,4-dichlorobenzoate, 97%;AKOS002723300;PS-4659;SY017932;D2855;FT-0628407;A822575;J-019943;Q63395370

Chemical Property of Methyl 2,4-dichlorobenzoate

Chemical Property:

• Vapor Pressure: 0.0159mmHg at 25°C
• Melting Point: 154-155℃
• Refractive Index: n20/D 1.557(lit.)
• Boiling Point: 255.917 °C at 760 mmHg
• Flash Point: 107.76 °C
• PSA: 26.30000
• Density: 1.356 g/cm³
• LogP: 2.78000
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 203.9744848
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

97% ^*data from raw suppliers

Methyl 2,4-Dichlorobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-23

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(=O)C1=C(C=C(C=C1)Cl)Cl
• Uses: Methyl 2,4-dichlorobenzoate may be used in the synthesis of 2,4-dichloro-benzohydroxamic acid.

Technology Process of Methyl 2,4-dichlorobenzoate

There total 24 articles about Methyl 2,4-dichlorobenzoate 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: 98.0%

methanol (67-56-1) + 2,4 dichlorobenzoic acid (50-84-0) → methyl 2,4-dichlorobenzoate (35112-28-8)

Guidance literature:

With sulfuric acid; Reflux;

DOI:10.1021/acs.jmedchem.8b00280

Reference yield: 98.0%

methanol (67-56-1) + 2,4-dichlorobenzoyl chloride (89-75-8) → methyl 2,4-dichlorobenzoate (35112-28-8)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 0 - 20 ℃; for 1h; Solvent; Inert atmosphere;

DOI:10.1039/c9nj01984g

Reference yield: 96.0%

methanol (67-56-1) + 2,4-dichlorobenzotrichloride (13014-18-1) → methyl 2,4-dichlorobenzoate (35112-28-8)

Guidance literature:

at 20 ℃; for 3h; UV-irradiation;

DOI:10.1002/anie.201507782

upstream raw materials:

methanol

2,4 dichlorobenzoic acid

morpholine

trimethylsulphonium hydroxide

Downstream raw materials:

2,4-dichlorobenzohydrazide

5-(2,4-Dichloro-phenyl)-2,5-dihydro-3H-imidazo[2,1-a]isoindol-5-ol

benzene-1,2,4-tricarboxylic acid trimethyl ester

5-(2,4-dichlorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-a]isoquinolin-5-ol