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Biphenylene - 99%, high purity , CAS No.259-79-0

COA

Grade & Purity:

≥99%

Cas Number: 259-79-0
Molecular Weight: 152.19
MDL number: MFCD00001110
PubChem CID: 9214
PubChem SID: 504751799

In stock

Item Number

B169102

Grouped product items
SKU	Size	Availability	Price	Qty
B169102-100mg	100mg	3	$138.90
B169102-500mg	500mg	3	$624.90

Basic Description

Synonyms	AKOS004907822 \| Dibenzocyclobutadiene \| NCIOpen2_001701 \| BIPHENYLENE \| DTXSID3059765 \| J-016201 \| NSC 101862 \| A818122 \| Cyclobutadibenzene \| biphenylen \| CHEBI:33079 \| SY020122 \| Q3560509 \| Diphenylene \| AS-56289 \| UNII-0Z64I7D5M2 \| AC-26543 \| B6284 \| B
Specifications & Purity	≥99%
Storage Temp	Room temperature
Shipped In	Normal

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	Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Benzenoid - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - 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	ortho-fused polycyclic arene - ortho-fused tricyclic hydrocarbon
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	504751799
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504751799
IUPAC Name	biphenylene
INCHI	InChI=1S/C12H8/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11/h1-8H
InChIKey	IFVTZJHWGZSXFD-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C3=CC=CC=C23
Isomeric SMILES	C1=CC=C2C(=C1)C3=CC=CC=C23
WGK Germany	3
Molecular Weight	152.19
Reaxy-Rn	1853759
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1853759&ln=

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

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Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
K2320347	Certificate of Analysis	Nov 13, 2023	B169102
K2320307	Certificate of Analysis	Nov 13, 2023	B169102

Chemical and Physical Properties

Molecular Weight	152.190 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	152.063 Da
Monoisotopic Mass	152.063 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	339.000
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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