Basic information
- CAS
55673-89-7- Standard SMILES
Clc1cc2oc3c(Cl)c(Cl)c(Cl)c(Cl)c3c2c(Cl)c1Cl- InChIKey
VEZCTZWLJYWARH-UHFFFAOYSA-N- Molecular formula
- C12HCl7O
- Average molar mass
- 409.3 g/mol
- Monoisotopic mass
- 405.784709
Overview
1,2,3,4,7,8,9-Heptachlorodibenzofuran is a polychlorinated dibenzofuran.
Names & identifiers
- Preferred name
- 1,2,3,4,7,8,9-Heptachlorodibenzofuran
- IUPAC
- 1,2,3,4,7,8,9-heptachlorodibenzofuran
- English name
- 1,2,3,6,7,8,9-Heptachlorodibenzofuran
- Molecular formula
- C12HCl7O
- Molecular weight
- 409.31
Names & synonyms
1,2,3,4,7,8,9-HEPTACHLORODIBENZOFURAN55673-89-71,2,3,4,7,8,9-HpCDFF 134PCDF 134UNII-R443MRN2CGR443MRN2CGDibenzofuran, 1,2,3,4,7,8,9-heptachloro-Dibenzofuran, 1,2,3,4,7,8,9-heptachloroDTXSID90522161,2,3,4,7,8,9-HCDFHEPTACHLORODIBENZOFURAN, 1,2,3,4,7,8,9-
Show more names
1,2,3,4,7,8,9-CDF1,2,3,4,7,8,9-HEPTACHLORODIPHENYLENEOXIDEHeptachlorodibenzofuran, 1,2,3,4,7,8,9- : (HeptaCDF, 1,2,3,4,7,8,9-)
3,4,5,6,11,12,13-heptachloro-8-oxatricyclo(7.4.0.02,7)trideca-1(13),2,4,6,9,11-hexaene3,4,5,6,11,12,13-heptachloro-8-oxatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaeneRefChem:71275DTXCID1030787Dibenzofuran, 1,2,3,4,7,8,9heptachloro694-836-91,2,3,4,7,8,9-heptachlorodibenzo[b,d]furan1,2,3,6,7,8,9-HEPTACHLORODIBENZOFURAN
Database identifiers
- CAS
55673-89-7- PubChem CID
- 41510
- DTXSID
DTXSID9052216- ChEBI
CHEBI:81514
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 383
Experimental & physicochemical properties
PolymersOther Classes -> Halogenated Polyaromatics
SpringerMaterials PropertiesBoiling point
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section169.1 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs]
Physicochemical properties
- Melting point
- 222 °C · 222°C
- Boiling point
- 542.04 °C · 542.04°C (rough estimate)
- Density
- 1.78 · 1.7800 (estimate)
- refractive index
- 1.72 · 1.7200 (rough estimate)
- solubility
- Chloroform (Slightly)
- form
- Solid
- color
- Pale Orange to Light Orange
- Henry's Law Constant
- 5.5 · 5.5×10-4 mol/(m3Pa) at 25℃, Paasivirta et al. (1999)
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
Hazard Traits - Bioaccumulation; Carcinogenicity; Dermatotoxicity; Developmental Toxicity; Endocrine Toxicity; Environmental Persistence; Environmental tox; Hematotoxicity; Hepatotoxicity and Digestive System Toxicity; Reproductive Toxicity
Regulation (EC) No 178/2002 (amended)
Hazards SummarySee CHLORINATED DIBENZOFURANS.
Hazard Classes and CategoriesAcute Tox. 1 (100%)
Safety & protection
Protective Action Criteria (PAC)
0.013 [mg/m3]
0.14 [mg/m3]
0.85 [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)
Applications
UsesA common environmental pollutant
Suppliers12 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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