4-Chlorodibenzofuran

Base Information

• Chemical Name: 4-Chlorodibenzofuran
• CAS No.: 74992-96-4
• Molecular Formula: C12H7 Cl O
• Molecular Weight: 202.64
• Hs Code.: 2932999099
• UNII: ROT1BKB4L4
• DSSTox Substance ID: DTXSID40225952
• Nikkaji Number: J397.559B
• Wikidata: Q27288223
• ChEMBL ID: CHEMBL139587
• Mol file: 74992-96-4.mol

Synonyms:4-chlorodibenzofuran

Chemical Property of 4-Chlorodibenzofuran

Chemical Property:

• Vapor Pressure: 0.000509mmHg at 25°C
• Boiling Point: 323°C at 760 mmHg
• Flash Point: 149.1°C
• PSA: 13.14000
• Density: 1.329g/cm³
• LogP: 4.23940
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 202.0185425
• Heavy Atom Count: 14
• Complexity: 218

Purity/Quality:

99%min ^*data from raw suppliers

4-Chlorodibenzofuran 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=C(O2)C(=CC=C3)Cl
• Uses: 4-Chlorodibenzofuran is a standard used in environmental testing and research such as the study of the thermal decomposition of endosulfan and the resulting formation of PCDD/F environmental toxins.

Technology Process of 4-Chlorodibenzofuran

There total 4 articles about 4-Chlorodibenzofuran 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:

m-chlorobiphenyl (2051-61-8) → dibenzofuran (132-64-9,214827-48-2) + 2-chlorodibenzofuran (51230-49-0) + biphenyl (92-52-4,1594-86-1) + 3'-Chloroacetophenone (99-02-5) + 4-chlorodibenzo[b,d]furan (74992-96-4) + 3-chlorobenzoate (535-80-8)

Guidance literature:

With dihydrogen peroxide; In water; at 399.9 ℃; for 0.0156944h; under 225018 Torr; Product distribution;

DOI:10.1246/cl.1997.245

Reference yield:

artificial municipal solid waste → 2-chlorodibenzofuran (51230-49-0) + 2,4-dichlorodibenzofuran (24478-74-8) + 4-chlorodibenzo[b,d]furan (74992-96-4) + monochlorinated dibenzofurans; mixture of

Guidance literature:

With air; Further byproducts given; Formation of xenobiotics;

DOI:10.1016/S0045-6535(99)00347-1

Reference yield:

municipal waste → 2-chlorodibenzofuran (51230-49-0) + 4-chlorodibenzo[b,d]furan (74992-96-4) + 1,3-Dichlorodibenzofuran (94538-00-8) + 1,7-dichlorodibenzofuran (94538-02-0)

Guidance literature:

With oxygen; at 350 ℃; Further byproducts given. Title compound not separated from byproducts; Formation of xenobiotics;

DOI:10.1016/S0045-6535(00)00223-X

upstream raw materials:

m-chlorobiphenyl

Downstream raw materials:

dibenzofuran

dibenzofuran-4-carboxylic acid

Refernces

• 1、 Gullett, Brian K.,Wikstroem, Evalena. "Mono- to tri-chlorinated dibenzodioxin (CDD) and dibenzofuran (CDF) congeners/homologues as indicators of CDD and CDF emissions from municipal waste and waste/coal combustion". . p. 1015 - 1019. Retrieved 2007/10/03.
• 2、 Hatakeda, Kiyotaka,Ikushima, Yutaka,Ito, Shota,Saito, Norio,Sato, Osamu. "Supercritical water oxidation of a PCB of 3-chlorobiphenyl using hydrogen peroxide". . p. 245 - 246. Retrieved 2007/10/03.