2-Chlorodibenzo-P-dioxin

Base Information

• Chemical Name: 2-Chlorodibenzo-P-dioxin
• CAS No.: 39227-54-8
• Molecular Formula: C12H7 Cl O2
• Molecular Weight: 218.639
• Hs Code.: 2932999099
• UNII: N0SSV5YGWH
• DSSTox Substance ID: DTXSID90192488
• Nikkaji Number: J74.764E
• Wikidata: Q27284358
• Mol file: 39227-54-8.mol

Synonyms:2-chlorodibenzo-4-dioxin;2-chlorodibenzo-4-dioxin, ion (1+);2-chlorodibenzo-p-dioxin

Chemical Property of 2-Chlorodibenzo-P-dioxin

Chemical Property:

• Vapor Pressure: 0.000821mmHg at 25°C
• Melting Point: 88.85°C
• Refractive Index: 1.6340 (estimate)
• Boiling Point: 315.2°Cat760mmHg
• Flash Point: 133.9°C
• PSA: 18.46000
• Density: 1.365g/cm³
• LogP: 4.23800
• Water Solubility.: 298ug/L(25 oC)
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 218.0134572
• Heavy Atom Count: 15
• Complexity: 234

Purity/Quality:

99%min ^*data from raw suppliers

2-CHLORODIBENZO-PARA-DIOXIN 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)OC3=C(O2)C=C(C=C3)Cl
• Uses: 2-Chlorodibenzo-p-dioxin is a standard used in environmental testing and research such as the formation ofdibenzofurans/dibenzodioxins from waste incinerators.

Technology Process of 2-Chlorodibenzo-P-dioxin

There total 6 articles about 2-Chlorodibenzo-P-dioxin 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: 49.1%

2,7-dichloro-dibenzo[1,4]dioxine (33857-26-0) → dioxin (262-12-4) + 2-chlorodibenzo-p-dioxin (39227-54-8)

Guidance literature:

With acetophenone; In methanol; at 20 ℃; for 1h; Irradiation;

DOI:10.1246/cl.2006.348

Reference yield: 19.9%

2,3-dichloro-dibenzo[1,4]dioxine (29446-15-9) → dioxin (262-12-4) + 2-chlorodibenzo-p-dioxin (39227-54-8)

Guidance literature:

With acetophenone; In methanol; at 20 ℃; for 3h; Irradiation;

DOI:10.1246/cl.2006.348

Reference yield:

artificial municipal solid waste → 2,3-dichloro-dibenzo[1,4]dioxine (29446-15-9) + dioxin (262-12-4) + 2-chlorodibenzo-p-dioxin (39227-54-8) + monochlorinated dibenzodioxins; mixture of

Guidance literature:

With air; at 650 - 945 ℃; Further byproducts given. Title compound not separated from byproducts; Formation of xenobiotics;

DOI:10.1021/es990568b

upstream raw materials:

dioxin

2,3-dichloro-dibenzo[1,4]dioxine

2,7-dichloro-dibenzo[1,4]dioxine

Downstream raw materials:

dioxin

dibenzo<1,4>dioxin-2-carboxylic acid

2,3,7-tribromo-8-chlorodibenzo-p-dioxin

Refernces

• 1、 Blumenstock,Zimmermann,Schramm,Kettrup. "Identification of surrogate compounds for the emission of PCDD/F (I-TEQ value) and evaluation of their on-line realtime detectability in flue gases of waste incineration plants by REMPI-TOFMS mass spectrometry". . p. 507 - 518. Retrieved 2007/10/03.
• 2、 Wikstroem,Tysklind,Marklund. "Influence of variation in combustion conditions on the primary formation of chlorinated organic micropollutants during municipal solid waste combustion". . p. 4263 - 4269. Retrieved 2007/10/03.