1-Chloro-3-phenoxybenzene

Base Information

• Chemical Name: 1-Chloro-3-phenoxybenzene
• CAS No.: 6452-49-9
• Molecular Formula: C12H9 Cl O
• Molecular Weight: 204.656
• European Community (EC) Number: 229-254-2
• UNII: R33083ZT00
• DSSTox Substance ID: DTXSID1064370
• Nikkaji Number: J127.126A
• Wikidata: Q27287720
• Mol file: 6452-49-9.mol

Synonyms:1-Chloro-3-phenoxybenzene;3-CHLORODIPHENYL ETHER;6452-49-9;Benzene, 1-chloro-3-phenoxy-;Ether, m-chlorophenyl phenyl;m-Chlorophenyl phenyl ether;1-chloro-3-phenoxy-benzene;UNII-R33083ZT00;EINECS 229-254-2;R33083ZT00;3-chlorophenyl phenyl ether;PCDE 2;3-PHENOXYCHLOROBENZENE;1-Chloro-3-phenoxybenzene #;SCHEMBL3790523;DTXSID1064370;BMURONZFJJPAOK-UHFFFAOYSA-;Q27287720

Chemical Property of 1-Chloro-3-phenoxybenzene

Chemical Property:

• Vapor Pressure: 0.00512mmHg at 25°C
• Boiling Point: 284.4°C at 760 mmHg
• Flash Point: 128.4°C
• PSA: 9.23000
• Density: 1.19g/cm³
• LogP: 4.13230
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 204.0341926
• Heavy Atom Count: 14
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

1-CHLORO-3-PHENOXYBENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=CC(=CC=C2)Cl

Technology Process of 1-Chloro-3-phenoxybenzene

There total 9 articles about 1-Chloro-3-phenoxybenzene 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: 88.0%

C7H7O3S(1-)*C15H15ClIO3(1+) + phenol (108-95-2,27073-41-2) → 1-chloro-3-phenoxybenzene (6452-49-9)

Guidance literature:

With potassium carbonate; In toluene; at 55 ℃; for 2h; Sealed tube;

DOI:10.1002/adsc.201901187

Reference yield: 87.0%

3-iodochlorobenzene (625-99-0) + phenol (108-95-2,27073-41-2) → 1-chloro-3-phenoxybenzene (6452-49-9)

Guidance literature:

With 2,2,6,6-tetramethylheptane-3,5-dione; iron(III) chloride; caesium carbonate; In N,N-dimethyl-formamide; at 135 ℃; for 20h;

DOI:10.1002/anie.200704018

Reference yield: 86.0%

3-monochlorophenol (108-43-0) + phenylboronic acid (98-80-6) → 1-chloro-3-phenoxybenzene (6452-49-9)

Guidance literature:

With copper diacetate; triethylamine; In dichloromethane; at 0 ℃; for 6h; Molecular sieve;

DOI:10.1016/j.tetlet.2014.06.035

upstream raw materials:

3-iodochlorobenzene

potassium phenolate

bromobenzene

sodium m-chlorophenoxide

Downstream raw materials:

4-(3-chlorophenoxy)benzoic acid

ethyl 2-acetylthio-3-<4-(3-chlorophenoxy)benzoyl>propionate

2-acetylthio-3-<4-(3-chlorophenoxy)benzoyl>propionic acid

ethyl 3-<4-(3-chlorophenoxy)benzoyl>acrylate