Octachlorodibenzofuran
Basic information
- CAS
39001-02-0- Standard SMILES
Clc1c(Cl)c(Cl)c2c(oc3c(Cl)c(Cl)c(Cl)c(Cl)c32)c1Cl- InChIKey
RHIROFAGUQOFLU-UHFFFAOYSA-N- Molecular formula
- C12Cl8O
- Average molar mass
- 443.7 g/mol
- Monoisotopic mass
- 439.745736
Overview
1,2,3,4,6,7,8,9-Octachlorodibenzofuran is a polychlorinated dibenzofuran.
Names & identifiers
- Preferred name
- Octachlorodibenzofuran
- IUPAC
- 1,2,3,4,6,7,8,9-octachlorodibenzofuran
- English name
- Octachlorodibenzofuran
- Molecular formula
- C12Cl8O
- Molecular weight
- 443.75
Names & synonyms
OCTACHLORODIBENZOFURAN1,2,3,4,6,7,8,9-Octachlorodibenzofuran39001-02-0PerchlorodibenzofuranDibenzofuran, octachloro-OCDFPCDF 1359C00M3WUEEDTXSID3052062RefChem:167549DTXCID4030629octachloro-8-oxatricyclo(7.4.0.02,7)trideca-1(13),2,4,6,9,11-hexaene
Show more names
694-806-51,2,3,4,6,7,8,9-Octachlorodibenzo[b,d]furanF 135UNII-9C00M3WUEEoctachlorodibenzo-furanSCHEMBL2405692SCHEMBL29445526CHEBI:81515
Database identifiers
- CAS
39001-02-0- PubChem CID
- 38200
- DTXSID
DTXSID3052062- ChEBI
CHEBI:81515- UNII
- 9C00M3WUEE
- EC Number
- 694-806-5
- Nikkaji
- J120.878K
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 375
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
LogP7.59
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section174.7 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs]
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Dibenzofuran, octachloro-
Hazard Traits - Bioaccumulation; Carcinogenicity; Dermatotoxicity; Environmental Persistence; Environmental tox; Hepatotoxicity and Digestive System Toxicity; Reproductive Toxicity
Regulation (EC) No 178/2002 (amended)
Hazard Classes and CategoriesAcute Tox. 1 (100%)
Safety & protection
Protective Action Criteria (PAC)
0.43 [mg/m3]
4.7 [mg/m3]
28 [mg/m3]
Toxicology
Health Effects
CDFs cause vomiting and diarrhea, anemia, more frequent lung infections, numbness and other effects on the nervous system, and mild changes in the liver. However, there were no permanent liver changes or definite liver damage found in people who ingested CDFs. (L952)
Chemistry & industry
Pharmacology
Metabolism/Metabolites
No information on the metabolism of dibenzofuran in mammalian organisms was found in the available literature. The bacteria Sphingomonas, Brevibacterium, Terrabacter, and Staphylococcus auricularis degrade dibenzofuran to 2,2',3-trihydroxybiphenyl via dibenzofuran 4,4a-dioxygenase. (L952)
Uses & manufacturing
UsesCDFs are created from production of coal tar and during incineration. They are used as insecticides, in the production of PVC, and in industrial bleaching. (L952)
Suppliers
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Related reactions
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Compound notes
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