1,3,7-Trichlorodibenzo-p-dioxin
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Basic information
- CAS
67028-17-5- Standard SMILES
Clc1ccc2c(c1)Oc1cc(Cl)cc(Cl)c1O2- InChIKey
RPKWIXFZKMDPMH-UHFFFAOYSA-N- Molecular formula
- C12H5Cl3O2
- Average molar mass
- 287.5 g/mol
- Monoisotopic mass
- 285.935512
Overview
1,3,7-Trichlorodibenzo-p-dioxin is one of 75 chlorinated dibenzo-p-dioxin (CDD) congeners. CDDs are a class of manufactured chemicals that consist of dioxin skeletel structures with chlorine substituents. They are also persistent organic pollutants (POPs), thus their production is regulated in most areas. Dioxins occur as by-products from the manufacture of organochlorides, the bleaching of paper, chlorination by waste and drinking water treatment plants, municipal solid waste and industrial incinerators, and natural sources such as volcanoes and forest fires. (L177, L178)
Names & identifiers
- Preferred name
- 1,3,7-Trichlorodibenzo-p-dioxin
- IUPAC
- 1,3,7-trichlorodibenzo-p-dioxin
- English name
- 1,3,7-trichlorooxanthrene
- Molecular formula
- C12H5Cl3O2
- Molecular weight
- 287.53
Names & synonyms
1,3,7-Trichlorodibenzo-p-dioxin67028-17-51,3,7-TRICHLORODIBENZODIOXINF7PFF5S0PR1,3,7-trichlorooxanthreneDibenzo(b,e)(1,4)dioxin, 1,3,7-trichloro-DTXSID80217290Dibenzo[b,e][1,4]dioxin, 1,3,7-trichloro-RefChem:1052634DTXCID80139781NIOSH/HP36400002,4,8-Trichlorodibenzo-p-dioxin
Show more names
Triclosan Impurity 31,3,7-Trichlorodibenzo-p-dioxin in n-nonane1,3,7-Trichlorodibenzo-p-dioxinQ: What is 1,3,7-Trichlorodibenzo-p-dioxin Q: What is the CAS Number of 1,3,7-Trichlorodibenzo-p-dioxin
Dibenzo-p-dioxin, 2,4,8-trichloro-HP36400000UNII-F7PFF5S0PRPCDD 20SCHEMBL7887922RPKWIXFZKMDPMH-UHFFFAOYSA-N1,3,7-Trichloro-dibenzo-p-dioxin1,3,7-trichlorodibenzo[b,e][1,4]dioxine
Database identifiers
- CAS
67028-17-5
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 289
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Henry's Law Constant
- 4.3 · 4.3×10-1 mol/(m3Pa) at 25℃, Wang and Wong (2002)
- FDA UNII
- 7 PFF5S0PR · F7PFF5S0PR
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety & protection
Minimum Risk LevelAcute Oral: 0.0002 ug/kg/day (L134)
Intermediate Oral: 0.00002 ug/kg/day (L134)
Chronic Oral: 0.000001 ug/kg/day (L134)
Toxicology
TreatmentTreatment of CDD exposure may include washing the area of contact, GI decontamination, administering an IV, or forced alkaline diuresis. (L346)
Health Effects
Exposure to large amounts of CDDs causes chloracne, a severe skin disease with acne-like lesions that occur mainly on the face and upper body. CDDs may also cause liver damage and induce long-term alterations in glucose metabolism and subtle changes in hormonal levels. In addition, studies have shown that CDDs may disrupt the endocrine system and weaken the immune system, as well as cause reproductive damage and birth defects, central and peripheral nervous system pathology, thyroid disorders, endometriosis, and diabetes. (L177, L178)
Exposure RoutesOral (L177) ; inhalation(L177) ; dermal (L177)
Chemistry & industry
Pharmacology
Metabolism/Metabolites
CDDs are absorbed through oral, inhalation, and dermal routes of exposure. CDDs are carried in the plasma by serum lipids and lipoproteins, distributing mainly to the liver and adipose tissue. CDDs are very slowly metabolized by the microsomal monooxygenase system to polar metabolites that can undergo conjugation with glucuronic acid and glutathione. They may increase the rate of their own metabolism by inducing both phase I and phase II enzymes. The major routes of excretion of CDDs are the bile and the faeces, though smaller amounts are excreted in the urine and via lactation. (L177)
Uses & manufacturing
Uses
Dioxins occur as by-products from the manufacture of organochlorides, the bleaching of paper, chlorination by waste and drinking water treatment plants, municipal solid waste and industrial incinerators, and natural sources such as volcanoes and forest fires. (L177, L178)
Applications
Uses1,3,7-Trichlorodibenzo-p-dioxin is a useful research chemical compound used in the synthetic preparation of polychlorinated dibenzo-p-dioxins and dibenzofurans by condensation of chlorophenols in gas phase reactions.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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