2,4-Dichloro-3-methylbenzoic acid

Base Information

• Chemical Name: 2,4-Dichloro-3-methylbenzoic acid
• CAS No.: 83277-23-0
• Molecular Formula: C8H6Cl2O2
• Molecular Weight: 205.04
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID10530843
• Wikidata: Q82402238
• Mol file: 83277-23-0.mol

Synonyms:2,4-Dichloro-3-methylbenzoic acid;83277-23-0;MFCD16659660;2,4-Dichloro-3-methylbenzoicacid;Benzoic acid, 2,4-dichloro-3-methyl-;dichloro-3-methylbenzoic acid;SCHEMBL108571;DTXSID10530843;KYAATGSGTLPBHN-UHFFFAOYSA-N;2,4-Dichloro-3-methyl benzoic acid;AKOS016004420;AC-31085;DS-13245;SY111677;CS-0061146;EN300-714096;O10589;A864282

Chemical Property of 2,4-Dichloro-3-methylbenzoic acid

Chemical Property:

• Boiling Point: 320.9±37.0 °C(Predicted)
• PKA: 2.78±0.28(Predicted)
• PSA: 37.30000
• Density: 1.442±0.06 g/cm3(Predicted)
• LogP: 3.00000
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 203.9744848
• Heavy Atom Count: 12
• Complexity: 184

Purity/Quality:

99% ^*data from raw suppliers

2,4-Dichloro-3-methylbenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,4-Dichloro-3-methylbenzoic acid

There total 10 articles about 2,4-Dichloro-3-methylbenzoic 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: 74.0%

1-(2,4-dichloro-3-methylphenyl)ethanone (157652-32-9) → 2,4-Dichloro-3-methyl-benzoic acid (83277-23-0)

Guidance literature:

With sodium hypochlorite; In 1,4-dioxane; at 80 ℃; for 5h;

Reference yield: 74.0%

2,4-dichloro-3-methylacetophenone → 2,4-Dichloro-3-methyl-benzoic acid (83277-23-0)

Guidance literature:

With sodium hypochlorite; In 1,4-dioxane; at 80 ℃; for 5h;

Reference yield: 47.7%

m-xylene (108-38-3,104809-90-7) → 4,6-dichlorobenzene-1,3-dicarboxylic acid (6660-65-7) + 2,4-dichloro-5-methylbenzoic acid (6660-59-9) + 2,4-Dichloro-3-methyl-benzoic acid (83277-23-0) + 2,4-dichloro-5-carboxybenzyl bromide + 2,4-dichloro-3-carboxybenzyl bromide + 2,4-dichloro-isophthalic acid (50903-03-2)

Guidance literature:

With oxygen; antimony(III) chloride; chlorine; at 95 ℃; for 3h; Product distribution; multistep reaction; other temp., time;

upstream raw materials:

m-xylene

carbon dioxide

2,6-dichlorotoluene

methyl 2,4-dichloro-3-methylbenzoate

Downstream raw materials:

methyl-3-bromomethyl-2,4-dichlorobenzoate

4-[(2,4-dichloro-3-methylphenyl)carbonyl]-2-piperazinone

ozenoxacin

ethyl 7-chloro-1-cyclopropyl-8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate

Refernces

• 1、 -. "Substituted benzoyl-pyrazole compounds and application thereof in agriculture". . . Retrieved 2021/01/15.
• 2、 Schlosser, Manfred,Heiss, Christophe,Marzi, Elena,Scopelliti, Rosario. "Proton mobility in 2-substituted 1,3-dichlorobenzenes: "ortho" or "meta" metalation?". . p. 4398 - 4404. Retrieved 2007/10/03.