4-Chlorophenol

Base Information

• Chemical Name: 4-Chlorophenol
• CAS No.: 106-48-9
• Molecular Formula: C6H5ClO
• Molecular Weight: 128.558
• Hs Code.: 2908.10 Oral rat LD50: 670 mg/kg
• European Community (EC) Number: 203-402-6
• ICSC Number: 0850
• NSC Number: 757263,2877
• UN Number: 2020
• UNII: 3DLC36A01X
• DSSTox Substance ID: DTXSID1021871
• Nikkaji Number: J3.611K
• Wikipedia: 4-Chlorophenol
• Wikidata: Q2179668
• NCI Thesaurus Code: C87268
• Metabolomics Workbench ID: 51580
• ChEMBL ID: CHEMBL57053
• Mol file: 106-48-9.mol

Synonyms:4-chlorophenol;4-chlorophenol ion (1+);4-chlorophenol, copper (+1) salt;4-chlorophenol, nickel (+2) salt;4-chlorophenol, potassium salt;4-chlorophenol, sodium salt;4-chlorophenol, titanium (+4) salt;4-chlorophenoxide;4-monochlorophenol;p-chlorophenol;para-monochlorophenol;parachlorophenol

Chemical Property of 4-Chlorophenol

Chemical Property:

• Appearance/Colour: off-white to light tan crystals or powder
• Vapor Pressure: 0.245mmHg at 25°C
• Melting Point: 40-45 ºC
• Refractive Index: 1.5579
• Boiling Point: 220 ºC at 760 mmHg
• PKA: 9.18(at 25℃)
• Flash Point: 80.1 ºC
• PSA: 20.23000
• Density: 1.287 g/cm³
• LogP: 2.04560
• Storage Temp.: 0-6°C
• Solubility.: ethanol: soluble50mg/mL, clear to very slightly hazy, colorless to faintly brownish-yellow
• Water Solubility.: 2.7 g/100 mL (20℃)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 128.0028925
• Heavy Atom Count: 8
• Complexity: 66.9
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

4-Chlorophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N
• Hazard Codes: Xn:Harmful;;
• Statements: R20/21/22:; R51/53:
• Safety Statements: S28A:; S61:

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Chlorophenols
• Canonical SMILES: C1=CC(=CC=C1O)Cl
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Effects of Short Term Exposure: The substance is severely irritating to the eyes, skin and respiratory tract. The substance may cause effects on the central nervous system.
• Effects of Long Term Exposure: The substance may have effects on the central nervous system.
• General Description: 4-Chlorophenol is a toxic chlorinated phenolic compound that poses environmental and health risks due to its persistence and potential bioaccumulation. Enzymatic degradation using horseradish peroxidase (HRP) immobilized on superparamagnetic Fe₃O₄/graphene oxide nanocomposites offers an efficient removal method, enhancing stability, reusability, and resistance to environmental fluctuations compared to free enzymes. This approach demonstrates promise for sustainable wastewater treatment by enabling magnetic recovery and repeated use of the biocatalyst.

Technology Process of 4-Chlorophenol

There total 511 articles about 4-Chlorophenol 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: 62.0%

2-Bromo-4-chloro-1-(2-chloro-ethoxy)-benzene (121767-82-6) → 2-bromo-4-chlorophenol (695-96-5) + 5-Chloro-2,3-dihydrobenzo[b]furan (76429-69-1) + 4-chloro-phenol (106-48-9,82344-39-6)

Guidance literature:

With magnesium; ethylene dibromide; In tetrahydrofuran;

DOI:10.1055/s-1988-27762

Reference yield: 18.4%

phenol (108-95-2,27073-41-2) → 2,6-Dichlorophenol (87-65-0) + 2-monochlorophenol (95-57-8) + 4-chloro-phenol (106-48-9,82344-39-6) + 2,4-dichlorophenol (120-83-2,40477-79-0) + 2,4,6-Trichlorophenol (88-06-2,67471-29-8)

Guidance literature:

With aluminium trichloride; diphenyl sulfide; chlorine; In neat (no solvent); at 35 ℃; for 1.5h; Product distribution; others 2-alkylphenols; var. chlorinating agent, temp., and time;

DOI:10.1021/jo00212a029

Reference yield: 4.0%

phenol (108-95-2,27073-41-2) → 2-monochlorophenol (95-57-8) + indophenol sodium salt (5418-32-6) + 4-chloro-phenol (106-48-9,82344-39-6) + 2,4,6-Trichlorophenol (88-06-2,67471-29-8)

Guidance literature:

With chloroamine; In water; pH=13; Product distribution;

DOI:10.1021/es030644h

upstream raw materials:

methanol

tetrachloromethane

para-dichlorobenzene

sodium methylate

Downstream raw materials:

4-chloro-2-pyrrolidinomethyl-phenol

4-chloro-2-piperidin-1-ylmethyl-phenol

4-chloro-3-piperidinomethyl-phenol

4-chlorophenyl 3-oxobutanoate

Refernces

Enzymatic removal of chlorophenols using horseradish peroxidase immobilized on superparamagnetic Fe₃O₄/graphene oxide nanocomposite

10.1016/S1872-2067(15)60856-7

This research aimed to develop an efficient method for the enzymatic removal of chlorophenols, which are harmful environmental pollutants, using horseradish peroxidase (HRP) immobilized on superparamagnetic Fe3O4/graphene oxide nanocomposites. The purpose was to leverage the high specificity and selectivity of enzymatic degradation while overcoming the poor stability and recovery challenges associated with free HRP. The study synthesized magnetic Fe3O4 nanoparticles deposited on graphene oxide sheets and used them to immobilize HRP. The immobilized HRP was then employed to remove 2-chlorophenol, 4-chlorophenol, and 2,4-dichlorophenol. The research concluded that the immobilized HRP demonstrated high stability, improved storage stability, and tolerance to pH and temperature changes compared to free HRP. It was also recoverable using an external magnetic field and retained significant activity over multiple cycles, showing potential for wastewater treatment applications.

Effective catalytic hydrodechlorination of 4-chlorophenol over a Rh immobilized on amine-functionalized magnetite nanoparticles in aqueous phase

10.1016/j.catcom.2014.04.006

This research investigates the effective catalytic hydrodechlorination (HDC) of 4-chlorophenol using Rhodium (Rh) nanoparticles immobilized on amine-functionalized magnetite nanoparticles in an aqueous phase. The amine-functionalized magnetite nanoparticles were synthesized via a solvothermal method and used as carriers for Rh nanoparticles. The catalyst demonstrated complete conversion of 4-chlorophenol to phenol and cyclohexanone at room temperature and atmospheric pressure. The excellent catalytic activity, stability, and recyclability were attributed to the amine groups stabilizing the Rh nanoparticles and the magnetic effect of the Fe3O4 support, which facilitated easy catalyst recovery and reuse. The study highlights the potential of this nanocomposite catalyst for detoxifying chlorophenols in wastewater treatment.