Cas no 3074-00-8 (6H-Benzocdpyren-6-one)

6H-Benzocdpyren-6-one is a polycyclic aromatic ketone with a fused benzopyrene structure, notable for its unique chemical and electronic properties. This compound is primarily utilized in advanced organic synthesis and materials science due to its rigid, planar framework, which facilitates applications in optoelectronic materials and molecular electronics. Its extended π-conjugation system makes it a candidate for studying charge transport and photophysical behaviors. Additionally, 6H-Benzocdpyren-6-one serves as a precursor for synthesizing specialized polycyclic aromatic hydrocarbons (PAHs) and heterocyclic derivatives. The compound’s stability and structural precision are advantageous for research in supramolecular chemistry and functional material design. Proper handling is required due to its potential reactivity and aromatic nature.
6H-Benzocdpyren-6-one structure
6H-Benzocdpyren-6-one structure
Product Name:6H-Benzocdpyren-6-one
CAS No:3074-00-8
MF:C19H10O
MW:254.282104969025
CID:310646
PubChem ID:18310
Update Time:2025-05-26

6H-Benzocdpyren-6-one Chemical and Physical Properties

Names and Identifiers

    • 6H-Benzo[cd]pyren-6-one
    • 6H-Benzo[cd]pyren-6-one200μg
    • 6H-Benzo[cd]pyrene-6-one
    • benzo[cd]pyren-6-one
    • benzo[cd]pyrene-6-one
    • Naphthanthrone
    • NSC 74892
    • BENZO (c,d) PYREN-6-ONE (purity)
    • NSC74892
    • Q15425801
    • 6H-Benzo[cd]pyren-6-one, BCR(R) certified Reference Material
    • J-018092
    • CCRIS 3172
    • CLIKSBRDCNSYNO-UHFFFAOYSA-N
    • M9WAZ0827H
    • pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8(17),9,11(16),12,14-nonaen-19-one
    • NCIOpen2_003980
    • NS00075576
    • 3074-00-8
    • DTXSID60184759
    • NSC-74892
    • FT-0634639
    • UNII-M9WAZ0827H
    • 6H-BENZO(CD)PYREN-6-ONE
    • DB-047887
    • DTXCID50107250
    • 6H-Benzocdpyren-6-one
    • Inchi: 1S/C19H10O/c20-19-14-5-1-3-11-7-9-13-10-8-12-4-2-6-15(19)17(12)18(13)16(11)14/h1-10H
    • InChI Key: CLIKSBRDCNSYNO-UHFFFAOYSA-N
    • SMILES: O=C1C2C=CC=C3C=CC4=CC=C5C=CC=C1C5=C4C=23

Computed Properties

  • Exact Mass: 254.07300
  • Monoisotopic Mass: 254.073165
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 0
  • Complexity: 392
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 17.1
  • XLogP3: 5.2

Experimental Properties

  • Density: 1.397±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 249-250 oC
  • Boiling Point: 509.5°Cat760mmHg
  • Flash Point: 230.6°C
  • Refractive Index: 1.873
  • Solubility: Insuluble (1.1E-5 g/L) (25 oC),
  • PSA: 17.07000
  • LogP: 4.69060

6H-Benzocdpyren-6-one Security Information

  • Storage Condition:2-8°C

6H-Benzocdpyren-6-one Customs Data

  • HS CODE:2914399090
  • Customs Data:

    China Customs Code:

    2914399090

    Overview:

    2914399090. Other aromatic ketones without other oxygen-containing groups. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acetone declared packaging

    Summary:

    2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

6H-Benzocdpyren-6-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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6H-Benzocdpyren-6-one Related Literature

Additional information on 6H-Benzocdpyren-6-one

Introduction to 6H-Benzocdpyren-6-one (CAS No. 3074-00-8)

6H-Benzocdpyren-6-one, identified by the chemical compound code CAS No. 3074-00-8, is a sophisticated heterocyclic compound that has garnered significant attention in the field of organic chemistry and pharmaceutical research. This molecule, belonging to the benzocdpyrene class, exhibits a unique structural framework that has positioned it as a subject of intense study for its potential applications in medicinal chemistry and material science.

The structural composition of 6H-Benzocdpyren-6-one features a fused system of benzene and cadopyrene rings, with a ketone functional group at the 6-position. This arrangement contributes to its distinct electronic and steric properties, making it a versatile scaffold for chemical modifications and derivatization. The presence of multiple aromatic systems within its structure allows for interactions with biological targets, which has sparked interest in its pharmacological properties.

In recent years, research on 6H-Benzocdpyren-6-one has been driven by its promising role as an intermediate in the synthesis of more complex molecules. Its ability to serve as a precursor for bioactive compounds has made it valuable in the development of novel therapeutic agents. For instance, studies have explored its utility in creating derivatives with enhanced binding affinity to specific biological receptors, which could lead to the discovery of new drugs targeting various diseases.

One of the most compelling aspects of 6H-Benzocdpyren-6-one is its potential in photopharmacology—a rapidly evolving field that combines photoregulation with pharmacology to develop drugs that can be activated or deactivated by light. The extended π-system in 6H-Benzocdpyren-6-one makes it an ideal candidate for such applications, as it can be designed to respond to specific wavelengths of light, enabling precise control over drug activity. This property is particularly intriguing for applications in cancer therapy, where localized drug delivery can minimize side effects.

The synthesis of 6H-Benzocdpyren-6-one itself is a testament to the advancements in organic synthesis methodologies. Modern techniques have enabled chemists to construct its complex framework with high efficiency and purity, paving the way for large-scale production and further research. The development of catalytic processes has also facilitated the introduction of functional groups at desired positions within the molecule, enhancing its utility as a building block for more intricate chemical entities.

From a material science perspective, 6H-Benzocdpyren-6-one has shown promise in the development of advanced materials. Its aromatic structure and rigidity make it suitable for incorporation into polymers and coatings that require high thermal stability and mechanical strength. Additionally, its ability to absorb UV light has led to investigations into its use as an additive for sunscreens and protective coatings that can mitigate UV-induced degradation.

The pharmacological investigation of 6H-Benzocdpyren-6-one has revealed several interesting interactions with biological systems. Initial studies have suggested that derivatives of this compound may exhibit anti-inflammatory and antioxidant properties, making them candidates for treating chronic inflammatory diseases and oxidative stress-related conditions. Furthermore, its structural similarity to certain natural products has prompted research into potential antimicrobial applications.

The role of computational chemistry in understanding the behavior of 6H-Benzocdpyren-6-one cannot be overstated. Advanced computational methods have allowed researchers to predict molecular interactions, optimize synthetic routes, and design derivatives with tailored properties. These tools have been instrumental in accelerating the discovery process and reducing experimental costs associated with traditional trial-and-error approaches.

In conclusion,6H-Benzocdpyren-6-one (CAS No. 3074-00-8) represents a fascinating molecule with diverse applications across multiple scientific disciplines. Its unique structural features, coupled with recent advancements in synthetic chemistry and biotechnology, position it as a cornerstone compound in ongoing research efforts aimed at developing new therapies and materials. As our understanding of its properties continues to grow,6H-Benzocdpyren-6-one is likely to play an increasingly pivotal role in shaping the future of pharmaceuticals and advanced materials.

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