70648-15-6

Basic information

• Product Name: 1,3,4,6,9-pentachlorodibenzo[b,d]furan
• Synonyms: 1,3,4,6,9-PENTACHLORODIBENZOFURAN; Dibenzofuran, 1,3,4,6,9-pentachloro; dibenzofuran, 1,3,4,6,9-pentachloro-
• CAS NO: 70648-15-6
• Molecular Formula: C₁₂H₃Cl₅O
• Molecular Weight: 340.4166
• Mol File: 70648-15-6.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 441.4°C at 760 mmHg
• Flash Point: 220.8°C
• Density: 1.7g/cm³
• Vapor Pressure: 1.41E-07mmHg at 25°C
• Refractive Index: 1.715
• CAS DataBase Reference: 1,3,4,6,9-pentachlorodibenzo[b,d]furan(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3,4,6,9-pentachlorodibenzo[b,d]furan(70648-15-6)
• EPA Substance Registry System: 1,3,4,6,9-pentachlorodibenzo[b,d]furan(70648-15-6)

Safety Data

• Hazardous Substances Data: 70648-15-6(Hazardous Substances Data)

Usage

Highly toxic

1,3,4,6,9-pentachlorodibenzo[b,d]furan is a highly toxic substance that can cause severe health effects in humans and animals.

Persistent organic pollutant

It is a persistent organic pollutant, meaning it does not break down easily in the environment and can remain for long periods of time.

Member of PCDDs and PCDFs family

1,3,4,6,9-pentachlorodibenzo[b,d]furan is a member of the polychlorinated dibenzo-p-dioxins (PCDDs) and dibenzofurans (PCDFs) family, which are byproducts of industrial processes.

Byproducts of industrial processes

It is a byproduct of industrial processes such as waste incineration, metal smelting, and chemical manufacturing.

Human carcinogen

1,3,4,6,9-pentachlorodibenzo[b,d]furan is a known human carcinogen, meaning it can cause cancer in humans.

Adverse health effects

Exposure to 1,3,4,6,9-pentachlorodibenzo[b,d]furan can cause a range of adverse health effects, including reproductive and developmental disorders, immune system suppression, and endocrine disruption.

Strictly regulated

Due to its hazardous nature, the production and use of 1,3,4,6,9-pentachlorodibenzo[b,d]furan are strictly regulated and efforts are made to minimize its release into the environment.

Upstream product

• 87-86-5 Pentachlorophenol 
• 95-57-8 2-monochlorophenol 
• 583-78-8 2,5-dichlorophenol 
• 933-78-8 2,3,5-trichlorophenol 
• 58-90-2 2,3,4,6-tetrachlorophenol 
• 108-95-2 phenol 
• 191-07-1 Coronene 
• 227-09-8 1,2:8,9-dibenzopentacene 
• 191-24-2 Benzo[ghi]perylene 
• 198-55-0 PERYLENE 
• 190-26-1 ovalene 

Relevant articles and documents

Prediction of polychlorinated dibenzofuran congener distribution from gas-phase phenol condensation pathways

A model for predicting the distribution of dibenzofuran and polychlorinated dibenzofuran (PCDF) congeners from a distribution of phenols was developed. The model is based on a simplified chemical mechanism. Relative rate constants and reaction order with respect to phenol precursors were derived from experimental results using single phenols and equal molar mixtures of up to four phenols. For validation, experiments were performed at three temperatures using a distribution of phenol and 19 chlorinated phenols as measured in municipal waste incinerator exhaust gas. Comparison of experimental measurements and model predictions for PCDF isomer distributions and homologue pattern shows agreement within measurement uncertainty. The R-squared correlation coefficient exceeds 0.9 for all PCDF isomer distributions and the distribution of PCDF homologues. These results demonstrate that the distribution of dibenzofuran and the 135 PCDF congeners from gas-phase condensation of phenol and chlorinated phenols can be predicted from measurement of the distribution of phenol and the 19 chlorinated phenol congeners.

De novo synthesis mechanism of polychlorinated dibenzofurans from polycyclic aromatic hydrocarbons and the characteristic isomers of polychlorinated naphthalenes

Polychlorinated dibenzofurans (PCDFs) and polychlorinated naphthalenes (PCNs) are known to be emitted from municipal waste incinerators (MWIs) with polychlorinated dibenzo-p-dioxins (PCDDs). Two formation paths for PCDD/Fs could mainly work, which are condensation of the precursors such as chlorophenols and 'de novo' formation from carbon. However the correlation between the chemical structure of carbon and the resulting PCDD/Fs still remains unknown. In this study, the PCDD/Fs formation from polycyclic aromatic hydrocarbons (PAHs) and CuCl was examined at 400 under 10% O2. Coronene among the PAHs characteristically gave 1,2,8,9-T4CDF and the derivatives. These isomers clearly indicate that chlorination causes the cleavage of the C-C bonds in a coronene molecule and also that oxygen is easily incorporated from its outside to form 1,2,8,9-T4CDF. The symmetrical preformed structures in the coronene molecule enabled to amplify the de novo formation of the isomer. PCNs are also formed directly from these PAHs. Since there have been few reports on the formation mechanism of PCNs, this study will be a first step to know the whole formation paths. We also define the de novo synthesis as the breakdown reaction of a carbon matrix, since the word has been used without the precise definition.