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5,6,11,12-Tetradehydrodibenzo[a,e]cyclooctene - >98.0%(HPLC), high purity , CAS No.53397-65-2

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 53397-65-2
Molecular Weight: 200.24
PubChem CID: 143044
PubChem SID: 504757257

In stock

Item Number

T161547

Grouped product items
SKU	Size	Availability	Price
T161547-25mg	25mg	3	$59.90
T161547-100mg	100mg	3	$167.90
T161547-500mg	500mg	2	$499.90

View related series

aromatic hydrocarbon (251) Non heterocyclic block (8163)

Basic Description

Synonyms	tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-2,10-diyne \| TRICYCLO[10.4.0.0?,?]HEXADECA-1(16),4,6,8,12,14-HEXAEN-2,10-DIYNE \| SY056509 \| Dibenzo[a,e]cyclooctadien-5,11-diyne \| T3241 \| 5,6,11,12-Tetradehydrodibenzo[a,e]cyclooctatetraene \| AS-8299
Specifications & Purity	≥98%(HPLC)
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Not available
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzenoids
Alternative Parents	Polycyclic acetylenes Aromatic hydrocarbons Polycyclic hydrocarbons
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Benzenoid - Polycyclic acetylene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Cyclic acetylene - Unsaturated hydrocarbon - Acetylene - Hydrocarbon - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzenoids. These are aromatic compounds containing one or more benzene rings.
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

Names and Identifiers

Pubchem Sid	504757257
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504757257
IUPAC Name	tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-2,10-diyne
INCHI	InChI=1S/C16H8/c1-2-6-14-11-12-16-8-4-3-7-15(16)10-9-13(14)5-1/h1-8H
InChIKey	JFYLRMKUYCIWMX-UHFFFAOYSA-N
Smiles	C1=CC=C2C#CC3=CC=CC=C3C#CC2=C1
Isomeric SMILES	C1=CC=C2C#CC3=CC=CC=C3C#CC2=C1
PubChem CID	143044
Molecular Weight	200.24

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

7 results found

Lot Number	Certificate Type	Date	Item
D2102269	Certificate of Analysis	Jan 06, 2025	T161547
D2102272	Certificate of Analysis	Jan 06, 2025	T161547
A2404090	Certificate of Analysis	Nov 30, 2023	T161547
A2404118	Certificate of Analysis	Nov 30, 2023	T161547
F2216234	Certificate of Analysis	Feb 25, 2022	T161547
F2216235	Certificate of Analysis	Feb 25, 2022	T161547
F2216236	Certificate of Analysis	Feb 25, 2022	T161547

Chemical and Physical Properties

Sensitivity	Air & light & heat sensitive
Melt Point(°C)	110°C
Molecular Weight	200.230 g/mol
XLogP3	4.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	200.063 Da
Monoisotopic Mass	200.063 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	319.000
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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