Biphenylene - ≥99% , CAS No.259-79-0

CAS: 259-79-0 Cat. No.: B169102 Formula: C₁₂H₈ Molecular Weight: 152.19 EC Number: 690-155-6

GRADE & PURITY ≥99%

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

Storage

Room temperature

Shipped In

Normal

Specifications

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

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504751799
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751799
• Canonical Smiles: C1=CC=C2C(=C1)C3=CC=CC=C23
• IUPAC Name: biphenylene
• InChIKey: IFVTZJHWGZSXFD-UHFFFAOYSA-N
• INCHI: 1S/C12H8/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11/h1-8H
• 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=

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

Data sources

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

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 Ų
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 259-79-0, the molecular formula is C12H8, and the molecular weight is 152.19 g/mol. InChIKey IFVTZJHWGZSXFD-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.