2-(4-Chlorophenoxy)ethanol

Base Information

• Chemical Name: 2-(4-Chlorophenoxy)ethanol
• CAS No.: 1892-43-9
• Molecular Formula: C8H9 Cl O2
• Molecular Weight: 172.611
• European Community (EC) Number: 217-578-7
• NSC Number: 8133
• UNII: Q73I5T98DA
• DSSTox Substance ID: DTXSID1062047
• Nikkaji Number: J54.935E
• Wikipedia: Chlorophetanol
• Wikidata: Q5103142
• Metabolomics Workbench ID: 152580
• ChEMBL ID: CHEMBL3707367
• Mol file: 1892-43-9.mol

Synonyms:2-(4-Chlorophenoxy)ethanol;1892-43-9;Chlorophetanol;Fungisan;Ethanol, 2-(4-chlorophenoxy)-;Chloro-p-phenoxetol;2-(p-Chlorophenoxy)ethanol;p-Chlorophenyl glycol ether;p-Chlorophenyl monoglycol ether;ETHANOL, 2-(p-CHLOROPHENOXY)-;mycotetracid;2-(4-chlorphenoxy)-ethanol;p-Chlorfenylmonoglykolether;2-(4'-Chlorfenoxy)ethanol;p-Chlorophenyl 2-hydroxyethyl ether;2-(4-chlorophenoxy)ethan-1-ol;NSC 8133;1-Chloro-4-(2-hydroxyethoxy)benzene;p-Chlorfenylmonoglykolether [Czech];NSC-8133;EINECS 217-578-7;2-(4'-Chlorfenoxy)ethanol [Czech];BRN 1365684;UNII-Q73I5T98DA;AI3-02225;Q73I5T98DA;.beta.-(p-chlorophenoxy)ethanol;4-(2-Hydroxyethoxy)chlorobenzene;4-06-00-00826 (Beilstein Handbook Reference);38797-58-9;4-Chlorophenoxyethanol;WLN: Q2OR DG;SCHEMBL77500;2-(p-Chloro-phenoxy)ethanol;2-(4'-Chlorophenoxy)ethanol;2-(4-chloro-phenoxy)-ethanol;CHEMBL3707367;DTXSID1062047;NSC8133;CHEBI:135944;4-(2-hydroxyethoxy)-chlorobenzene;ethyleneglycol 4-chlorophenyl ether;BCP11228;ethylene glycol 4-chlorophenyl ether;MFCD00014036;AKOS000296225;CS-W017573;DB11368;HY-W016857;2-(4-chlorphenoxy)-ethanol [WHO-DD];BS-16196;LS-66599;Ethylene glycol mono(p-chlorophenyl) ether;Ethylene Glycol Mono(4-chlorophenyl) Ether;AM20030236;FT-0608613;D89220;EN300-1241325;A813308;Q5103142

Chemical Property of 2-(4-Chlorophenoxy)ethanol

Chemical Property:

• Vapor Pressure: 0.00189mmHg at 25°C
• Melting Point: 30°C
• Refractive Index: 1.5510
• Boiling Point: 135-136°C 6mm
• PKA: 14.18±0.10(Predicted)
• Flash Point: 123°C
• PSA: 29.46000
• Density: 1.238g/cm³
• LogP: 1.71110
• Storage Temp.: 2-8°C
• Water Solubility.: Soluble in water 3.1 g/L @ 25°C.
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 172.0291072
• Heavy Atom Count: 11
• Complexity: 100

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ethylene Glycol Mono(4-chlorophenyl) Ether >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R21/22:Harmful in contact with skin and if swallowed.; R36/38:Irritating to eyes and skin.
• Hazard Codes: R21/22:Harmful in contact with skin and if swallowed.; R36/38:Irritating to eyes and skin.
• Statements: 21/22-36/38
• Safety Statements: 23-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1OCCO)Cl
• Uses: 2-(4-Chlorophenoxy)ethanol is used as a pharmaceutical intermediate.

Technology Process of 2-(4-Chlorophenoxy)ethanol

There total 12 articles about 2-(4-Chlorophenoxy)ethanol 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: 99.24%

2-Phenoxyethanol (122-99-6,56257-90-0,9004-78-8) → 2-(4-chlorophenoxy)ethanol (1892-43-9)

Guidance literature:

With sulfuryl dichloride; bis(4-chlorophenyl)sulfide; magnesium chloride; at 30 ℃; for 0.5h;

Reference yield: 96.0%

bromochlorobenzene (106-39-8) + ethylene glycol (107-21-1) → 2-(4-chlorophenoxy)ethanol (1892-43-9)

Guidance literature:

With potassium carbonate; copper dichloride; at 130 ℃; for 20h; Inert atmosphere; Schlenk technique;

DOI:10.1039/c4ob00649f

Reference yield: 94.0%

4-Chlorophenoxyacetic acid (122-88-3) + aqueous sodium sulfate → 2-(4-chlorophenoxy)ethanol (1892-43-9)

Guidance literature:

With magnesium sulfate; In tetrahydrofuran; ethyl acetate;

upstream raw materials:

oxirane

4-chloro-phenol

4-Chlorophenoxyacetic acid

sodium 4-chlorophenolate

Downstream raw materials:

me3Si(Oet-2-(Oph-4-Cl))

1-benzoyloxy-2-(4-chloro-phenoxy)-ethane

4-chlorophenoxyethyl 4-toluenesulfonate

[2-(4-chloro-phenoxy)-ethyl]-(tetra-O-acetyl-β-D-glucopyranoside)

Refernces

• 1、 -. "1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOLE DERIVATIVE COMPOUNDS AND USES THEREOF". Paragraph 0318-0319; 0321. . Retrieved 2020/03/05.
• 2、 -. "A method for preparing chloro-benzene oxygen carboxylic acid (by machine translation)". Paragraph 0059; 0060. . Retrieved 2019/01/08.