2,5-Dichlorobenzoic acid

Base Information

• Chemical Name: 2,5-Dichlorobenzoic acid
• CAS No.: 50-79-3
• Molecular Formula: C7H4Cl2O2
• Molecular Weight: 191.014
• Hs Code.: 29163900
• European Community (EC) Number: 200-065-7
• NSC Number: 41889
• UNII: KP7CMR0GSD
• DSSTox Substance ID: DTXSID5024978
• Nikkaji Number: J55.460J
• Wikidata: Q27225521
• Metabolomics Workbench ID: 143637
• ChEMBL ID: CHEMBL326312
• Mol file: 50-79-3.mol

Synonyms:2,5-dichlorobenzoate;2,5-dichlorobenzoate sodium;2,5-dichlorobenzoic acid

Chemical Property of 2,5-Dichlorobenzoic acid

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 151-154 °C(lit.)
• Refractive Index: 1.599
• Boiling Point: 301 °C at 760 mmHg
• PKA: 2.51±0.25(Predicted)
• Flash Point: 135.8 °C
• PSA: 37.30000
• Density: 1.518 g/cm³
• LogP: 2.69160
• Storage Temp.: Store below +30°C.
• Solubility.: 0.8g/l
• Water Solubility.: <0.1 g/100 mL at 19℃
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 189.9588348
• Heavy Atom Count: 11
• Complexity: 161

Purity/Quality:

99% ^*data from raw suppliers

2,5-Dichlorobenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Benzoic Acid Derivatives
• Canonical SMILES: C1=CC(=C(C=C1Cl)C(=O)O)Cl
• Uses: 2,5-Dichlorobenzoic acid was used as calibration standard to investigate the gas-phase OH reaction products of biphenyl, monochlorobiphenyl and dichlorophenyl

Technology Process of 2,5-Dichlorobenzoic acid

There total 41 articles about 2,5-Dichlorobenzoic 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: 97.0%

3,6-dichloroanthranilic acid (3032-32-4) → 2,5-dichlorobenzoic acid (50-79-3)

Guidance literature:

With cobalt(II) naphthenate; Diisobutyl adipate; at 78 ℃; for 2h; Temperature;

Reference yield: 84.0%

2,5-dichlorotoluene (19398-61-9) → 2,5-dichlorobenzoic acid (50-79-3)

Guidance literature:

With pyridine; potassium permanganate; water; at 70 - 90 ℃; for 5h;

Reference yield: 78.9%

2,5-dichloroacetophenone (2476-37-1) → 2,5-dichlorobenzoic acid (50-79-3)

Guidance literature:

With water; bromine; sodium hydroxide; at 0 - 20 ℃; for 2h;

upstream raw materials:

2,5 dichloroaniline

2,5-dichloro-benzaldehyde

2,5-dichlorotoluene

2,5-dichlorobenzonitrile

Downstream raw materials:

5-chloro-2-(4-methoxyphenylamino)benzoic acid

2-anilino-5-chloro-benzoic acid

5-chloro-2-(2-chloro-anilino)-benzoic acid

5-chloro-2-(2-chloro-phenoxy)-benzoic acid

Refernces

• 1、 -. "Irsogladine maleate preparation method". . . Retrieved 2019/05/16.
• 2、 Kozic, Ján,Novák, Zdeněk,?ímal, Václav,Profant, Václav,Kune?, Ji?í,Vin?ová, Jarmila. "Conformations, equilibrium thermodynamics and rotational barriers of secondary thiobenzanilides". . p. 2072 - 2083. Retrieved 2016/04/09.