(2-Chloroethoxy)benzene

Base Information

• Chemical Name: (2-Chloroethoxy)benzene
• CAS No.: 622-86-6
• Molecular Formula: C8H9 Cl O
• Molecular Weight: 156.612
• Hs Code.: 29093090
• European Community (EC) Number: 210-757-0
• NSC Number: 1073
• UNII: V283WU3KN8
• DSSTox Substance ID: DTXSID6060761
• Nikkaji Number: J32.083H
• Wikidata: Q27452718
• Mol file: 622-86-6.mol

Synonyms:(2-Chloroethoxy)benzene;622-86-6;beta-Chlorophenetole;2-Phenoxyethyl chloride;2-Chloroethoxybenzene;Benzene, (2-chloroethoxy)-;2-CHLOROETHYL PHENYL ETHER;Benzene, chloroethoxy-;2-(Chloroethyoxy)benzene;Phenetole, .beta.-chloro-;Phenoxyethyl chloride;.beta.-Chlorophenetole;1-Phenoxy-2-chloroethane;1-(2-chloroethoxy)benzene;Phenyl 2-Chloroethyl Ether;.beta.-Phenoxyethyl chloride;AI3-01380;V283WU3KN8;NSC-1073;EINECS 210-757-0;MFCD00018946;b-chlorophenetole;2-chloroethylphenylether;phenoxyethylchloride;p-chloroethoxybenzene;chloroethyl phenyl ether;2-phenoxy ethyl chloride;2-phenoxy-ethyl chloride;1-chloro-2-phenoxyethane;Ether, 2-chloroethyl phenyl;UNII-V283WU3KN8;SCHEMBL43271;(2-Chloroethoxy)benzene, 98%;DTXSID6060761;VQUYNUJARXBNPK-UHFFFAOYSA-;AMY9421;NSC1073;NSC 1073;STL263643;AKOS000119920;CS-W017989;DS-6327;AC-15744;SY033599;A8607;BB 0218091;FT-0613286;EN300-20685;W-105020;Q27452718

Chemical Property of (2-Chloroethoxy)benzene

Chemical Property:

• Appearance/Colour: Pale yellow oil
• Vapor Pressure: 0.178mmHg at 25°C
• Melting Point: 28°C
• Refractive Index: n20/D 1.534(lit.)
• Boiling Point: 219.2 °C at 760 mmHg
• Flash Point: 91.9 °C
• PSA: 9.23000
• Density: 1.108 g/cm³
• LogP: 2.30420
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Chloroform, Ethyl Acetate
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 156.0341926
• Heavy Atom Count: 10
• Complexity: 79.3

Purity/Quality:

99% ^*data from raw suppliers

Phenyl 2-chloroethyl ether ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OCCCl
• Uses: Phenyl 2-Chloroethyl Ether (cas# 622-86-6) is a compound useful in organic synthesis. (2-Chloroethoxy)benzene is used in the coupling reaction of benzaldehyde, cinnamyltrimethylsilane and anisole in the synthesis of pseudo-symmetrical tamoxifen derivatives.

Technology Process of (2-Chloroethoxy)benzene

There total 23 articles about (2-Chloroethoxy)benzene 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%

1-methanesulfonyloxy-2-(phenoxy)ethane (141482-06-6) → 2-chloroethoxybenzene (622-86-6)

Guidance literature:

With 1-butyl-3-methylimidazolium chloride; at 50 ℃; for 3h; Inert atmosphere; Green chemistry;

DOI:10.1055/s-0032-1317473 DOI:10.1055/s-0032-1317473

Reference yield: 92.0%

1-chlorocarbonyloxy-2-phenoxy-ethane (34743-87-8) → 2-chloroethoxybenzene (622-86-6)

Guidance literature:

With N,N-dimethyl-formamide; In chloroform; at 65 - 69 ℃;

DOI:10.1021/jo00163a047

Reference yield: 85.0%

1,2-dichloro-ethane (107-06-2,52399-93-6) + phenol (108-95-2,27073-41-2) → 2-chloroethoxybenzene (622-86-6)

Guidance literature:

tetra(n-butyl)ammonium hydrogensulfate; 1.) 3M aq. NaOH, reflux, 1 h, 2.) 6M aq. NaOH, reflux, 1 h;

upstream raw materials:

2-Phenoxyethanol

1,2-dichloro-ethane

phenol

potassium phenolate

Downstream raw materials:

4-decyl-4-(2-phenoxy-ethyl)-morpholinium; chloride

2-[bis-(2-phenoxy-ethyl)-amino]-ethanol

N,N-diethyl-2-phenoxyaminoethane

2-[ethyl-(2-phenoxy-ethyl)-amino]-ethanol

Refernces

• 1、 Butler et al.. "-". . p. 227. Retrieved 1937.
• 2、 -. "Synthesis method of 1,2-diphenoxyethane thermosensitive sensitizer". Paragraph 0018; 0019; 0020; 0021; 0022; 0023; 0024. . Retrieved 2017/10/13.
• 3、 -. "Formononetin derivatives and preparation methods and medical application thereof". . . Retrieved 2017/04/29.