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1,2,7,8-Tetrachlorodibenzo-P-dioxin , CAS No.34816-53-0

COA

Cas Number: 34816-53-0
Molecular Weight: 322
PubChem CID: 36934

In stock

Item Number

T667891

Grouped product items
SKU	Size	Availability	Price	Qty
T667891-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90
T667891-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,999.90

Basic Description

Synonyms	1,2,7,8-TETRACHLORODIBENZO-P-DIOXIN \| Dibenzo-p-dioxin, 1,2,7,8-tetrachloro- \| Dibenzo(b,e)(1,4)dioxin, 1,2,7,8-tetrachloro- \| 61CLS478M1 \| BRN 1586203 \| 2,3,6,7-Tetrachlorodibenzodioxin \| 1,2,7,8-TCDD \| UNII-61CLS478M1 \| PCDD 39 \| DTXSID3073478 \| 2,3,6,7

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzodioxins
    - Subclass Benzo-p-dioxins
      - Level5 Dibenzo-p-dioxins
        Level6 Chlorinated dibenzo-p-dioxins

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzodioxins
Subclass	Benzo-p-dioxins
Intermediate Tree Nodes	Dibenzo-p-dioxins
Direct Parent	Chlorinated dibenzo-p-dioxins
Alternative Parents	Diarylethers Benzenoids Aryl chlorides Oxacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Chlorinated-dibenzo-p-dioxin - Diaryl ether - Benzenoid - Aryl halide - Aryl chloride - Oxacycle - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as chlorinated dibenzo-p-dioxins. These are organic compounds containing a chlorine atom attached to a dibenzo-p-dioxin moiety.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

AHR Tclin Aryl hydrocarbon receptor (1 Activities)

Discover Target: AHR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	1,2,7,8-tetrachlorodibenzo-p-dioxin
INCHI	InChI=1S/C12H4Cl4O2/c13-5-1-2-8-12(11(5)16)18-10-4-7(15)6(14)3-9(10)17-8/h1-4H
InChIKey	YDZCLBKUTXYYKS-UHFFFAOYSA-N
Smiles	C1=CC(=C(C2=C1OC3=CC(=C(C=C3O2)Cl)Cl)Cl)Cl
Isomeric SMILES	C1=CC(=C(C2=C1OC3=CC(=C(C=C3O2)Cl)Cl)Cl)Cl
Molecular Weight	322
Reaxy-Rn	1586203
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1586203&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	322.000 g/mol
XLogP3	6.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	321.894 Da
Monoisotopic Mass	319.897 Da
Topological Polar Surface Area	18.500 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	316.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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