Dibenzo-P-dioxin

Base Information

• Chemical Name: Dibenzo-P-dioxin
• CAS No.: 262-12-4
• Molecular Formula: C12H8 O2
• Molecular Weight: 184.194
• Hs Code.: 2932999099
• European Community (EC) Number: 205-974-2
• UN Number: 3077
• UNII: O1B5KJ235I
• DSSTox Substance ID: DTXSID8020410
• Nikkaji Number: J34.854F
• Wikipedia: Dibenzo-1,4-dioxin
• Wikidata: Q425380
• Metabolomics Workbench ID: 51882
• ChEMBL ID: CHEMBL3184198
• Mol file: 262-12-4.mol

Synonyms:dibenzo(1,4)dioxin;dibenzo-p-dioxin

Chemical Property of Dibenzo-P-dioxin

Chemical Property:

• Appearance/Colour: white crystalline solid
• Vapor Pressure: 0.0072mmHg at 25°C
• Melting Point: 120 °C
• Refractive Index: 1.6250 (estimate)
• Boiling Point: 278.5°Cat760mmHg
• Flash Point: 115.7°C
• PSA: 18.46000
• Density: 1.243g/cm³
• LogP: 3.58460
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: 1.4mg/L(25 oC)
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 184.052429494
• Heavy Atom Count: 14
• Complexity: 163
• Transport DOT Label: Class 9

Purity/Quality:

98% ^*data from raw suppliers

Dibenzo-?p-?dioxin ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N
• Hazard Codes: Xn,N
• Statements: 22-51/53
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Other Aromatic Compounds
• Canonical SMILES: C1=CC=C2C(=C1)OC3=CC=CC=C3O2
• Uses: Dibenzo-?p-?dioxin is a standard used in environmental testing and research as well as in the studying of PCBs, PCDDs and PCDFs in food.

Technology Process of Dibenzo-P-dioxin

There total 62 articles about Dibenzo-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: 95.7%

2-chlorodibenzo-p-dioxin (39227-54-8) → dioxin (262-12-4)

Guidance literature:

With acetophenone; In methanol; at 20 ℃; for 0.166667h; Irradiation;

DOI:10.1246/cl.2006.348

Reference yield: 94.4%

2,7-dichloro-dibenzo[1,4]dioxine (33857-26-0) → dioxin (262-12-4)

Guidance literature:

With sodium hydroxide; palladium on activated charcoal; In isopropyl alcohol; at 30 ℃; for 3h;

DOI:10.1016/S0045-6535(01)00170-9

Reference yield: 91.0%

η6-dibenzodioxin-η5-cyclopentadienyliron hexafluorophosphate → dioxin (262-12-4)

Guidance literature:

at 200 - 250 ℃; for 1h; under 1 Torr;

upstream raw materials:

2-monochlorophenol

2,2'-oxydiphenol

di(2-methoxyphenyl) ether

sodium 4-chlorophenolate

Downstream raw materials:

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

2-benzoylamino-1-dibenzo[1,4]dioxin-2-yl-ethanone

2-Benzyl-dibenzo[1,4]dioxin

dodecahydrooxanthrene

Refernces

• 1、 Zhou, Qizhong,Su, Liangjun,Jiang, Tiansheng,Zhang, Bin,Chen, Rener,Jiang, Huajiang,Ye, Yuyuan,Zhu, Mengqing,Han, Deman,Shen, Jianfen,Dai, Guoliang,Li, Zhanting. "Copper/iron-catalyzed Ullmann coupling of diiodo- and dibromoarenes and diphenols for the synthesis of aryl ether macrocycles". . p. 1125 - 1132. Retrieved 2014.
• 2、 Evans, Catherine S.,Dellinger, Barry. "Mechanisms of dioxin formation from the high-temperature oxidation of 2-chlorophenol". . p. 122 - 127. Retrieved 2005.
• 3、 Pimenova,Melkhanova,Kolesov,Demyanov,Fedotov. "Experimental determination of the enthalpy of formation of dibenzo- p-dioxin". . p. 385 - 390. Retrieved 2002.
• 4、 Mognonov,Ayurova, O. Zh.,Il’ina,Khakhinov. "Polyheteroarylenes based on 2,3,7,8-tetraaminodibenzo-p-dioxin and aromatic polyfunctional carboxylic acids". . p. 1903 - 1907. Retrieved 2018.
• 5、 Guo, Xuefeng,Yu, Chao,Yin, Zhouyang,Sun, Shouheng,Seto, Christopher T.. "Hydrodehalogenation of Polyhalogenated Aromatics Catalyzed by NiPd Nanoparticles Supported on Nitrogen-Doped Graphene". . p. 1617 - 1620. Retrieved 2018/06/15.