2,5-Dichlorophenol

Base Information

• Chemical Name: 2,5-Dichlorophenol
• CAS No.: 583-78-8
• Molecular Formula: C6H4Cl2O
• Molecular Weight: 163.003
• Hs Code.: 29081000
• European Community (EC) Number: 209-520-4
• ICSC Number: 0439
• NSC Number: 6296
• UN Number: 2020
• UNII: 3B11G9AKBA
• DSSTox Substance ID: DTXSID7025003
• Nikkaji Number: J1.634I
• Wikidata: Q13427538
• Metabolomics Workbench ID: 49543
• ChEMBL ID: CHEMBL1565192
• Mol file: 583-78-8.mol

Synonyms:2,5-dichlorophenol;2,5-dichlorophenol, potassium salt;2,5-dichlorophenol, sodium salt;potassium 2,5-dichlorophenoxide;sodium 2,5-dichlorophenoxide

Chemical Property of 2,5-Dichlorophenol

Chemical Property:

• Appearance/Colour: white to light brown crystals
• Melting Point: 54-57 °C(lit.)
• Refractive Index: 1.4430 (estimate)
• Boiling Point: 214.621 °C at 760 mmHg
• PKA: 7.53±0.10(Predicted)
• Flash Point: 99.969 °C
• PSA: 20.23000
• Density: 1.458 g/cm³
• LogP: 2.69900
• Storage Temp.: 0-6°C
• Solubility.: 2000mg/l (experimental)
• Water Solubility.: 3 g/L (20 ºC)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 161.9639201
• Heavy Atom Count: 9
• Complexity: 97.1
• Transport DOT Label: Poison

Purity/Quality:

99.9% ^*data from raw suppliers

2,5-Dichlorophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C, N, Xn
• Hazard Codes: C,N,Xn
• Statements: 22-34-51/53-36/38
• Safety Statements: 26-36/37/39-45-61-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Chlorophenols
• Canonical SMILES: C1=CC(=C(C=C1Cl)O)Cl
• Inhalation Risk: A harmful concentration of airborne particles can be reached quickly when dispersed, especially if powdered.
• Effects of Short Term Exposure: The substance is severely irritating to the eyes, skin and respiratory tract. Exposure could cause chloracne.
• Uses: 2,5-Dichlorophenol is an intermediates in the manufacture of more complex chemical compounds such as fungicides. 2,5-Dichlorophenol may be used as an analytical reference standard for the determination of the analyte in water, and wood, paper, cardboard, fruits, and fruit juices using simultaneous dispersive liquid-liquid microextraction and derivatization followed by gas chromatography-electron-capture detection (GC-ECD) and gas chromatography-mass spectrometry (GC-MS), respectively.

Technology Process of 2,5-Dichlorophenol

There total 57 articles about 2,5-Dichlorophenol 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: 96.8%

2,5-dichloroanisole (1984-58-3) → 2,5-dichlorophenol (583-78-8)

Guidance literature:

With hydrogenchloride; tetrabutylammomium bromide; In water; at 160 ℃; for 5h; under 16501.7 Torr; Temperature; Pressure; Reagent/catalyst; Autoclave; Large scale;

Reference yield: 92.6%

1,2,4-Trichlorobenzene (120-82-1,63697-18-7) → 2,5-dichlorophenol (583-78-8)

Guidance literature:

With sodium ethanolate; sodium phenylsulfonate; at 190 ℃; for 10h; under 21752.2 Torr; Reagent/catalyst; Temperature; Pressure; Autoclave; Inert atmosphere;

Reference yield: 86.0%

2,5 dichloroaniline (95-82-9) → 2,5-dichlorophenol (583-78-8)

Guidance literature:

With sulfuric acid; sodium nitrite; In water;

DOI:10.1016/j.tetlet.2019.03.024

upstream raw materials:

2,5 dichloroaniline

2-bromo-1,4-dichlorobenzene

2,5-dichloroiodobenzene

sodium methylate

Downstream raw materials:

α-(2,5-dichloro-phenoxy)-isobutyric acid

benzoic acid-(2,5-dichloro-phenyl ester)

1-bromo-2-(2,5-dichlorophenoxy)ethane

1,2-bis-(2,5-dichloro-phenoxy)-ethane

Refernces

• 1、 -. "Method for preparing 2, 5-dichlorophenol through continuous oxidation of p-dichlorobenzene". Paragraph 0025; 0027; 0028; 0030; 0031; 0033. . Retrieved 2020/01/25.
• 2、 -. "Vanadium-pyridine catalyst for preparing 2, 5-dichlorophenol through catalytic oxidation and synthesis method and application of vanadium-pyridine catalyst". Paragraph 0025-0027. . Retrieved 2020/11/09.