4,5,9,10-Pyrenetetrone - ≥98% , CAS No.14727-71-0

CAS: 14727-71-0 Cat. No.: P302921 Molecular Weight: 262.22 PubChem CID: 11207724

GRADE & PURITY ≥98%

Synonyms

DTXSID40458809 | 4,5,9,10-TETRAHYDROPYRENE-4,5,9,10-TETRONE | E76415 | YSWG406 | FQVOWPCGHLYSLB-UHFFFAOYSA-N | Pyrene-4,5,9,10-tetrone | Pyrene-4,5,9,10-tetraone | SCHEMBL1445657 | BS-50805 | A898789 | AKOS027325552 | 4,5,9,10-Pyrenetetrone

Storage

Room temperature,Cool

Shipped In

Normal

Specifications

Synonyms

DTXSID40458809 | 4, 5, 9, 10-TETRAHYDROPYRENE-4, 5, 9, 10-TETRONE | E76415 | YSWG406 | FQVOWPCGHLYSLB-UHFFFAOYSA-N | Pyrene-4, 5, 9, 10-tetrone | Pyrene-4, 5, 9, 10-tetraone | SCHEMBL1445657 | BS-50805 | A898789 | AKOS027325552 | 4, 5, 9, 10-Pyrenetetrone

Specifications & Purity

≥98%

Storage

Room temperature, Cool

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488197281
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197281
• Canonical Smiles: C1=CC2=C3C(=C1)C(=O)C(=O)C4=CC=CC(=C43)C(=O)C2=O
• IUPAC Name: pyrene-4,5,9,10-tetrone
• InChIKey: FQVOWPCGHLYSLB-UHFFFAOYSA-N
• INCHI: 1S/C16H6O4/c17-13-7-3-1-4-8-11(7)12-9(15(13)19)5-2-6-10(12)16(20)14(8)18/h1-6H
• Isomeric SMILES: C1=CC2=C3C(=C1)C(=O)C(=O)C4=CC=CC(=C43)C(=O)C2=O
• PubChem CID: 11207724
• Molecular Weight: 262.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Pyrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Pyrenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrenes
• Alternative Parents: Phenanthrenes and derivatives Naphthalenes Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Pyrene - Phenanthrene - Naphthalene - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
• External Descriptors: Not available

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: 262.220 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 262.027 Da
• Monoisotopic Mass: 262.027 Da
• Topological Polar Surface Area: 68.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 443.000
• 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

References

1. Zirui Lin, Hua-Yu Shi, Yihao Song, Yaowen Xing, Xiahui Gui.  (2026)  A High-Capacity π-Conjugated Polymer Cathode With Electron Reservoirs for Rechargeable Aqueous Zinc Batteries.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202525867]