Cas no 52251-71-5 (2-Ethylanthracene)

2-Ethylanthracene is a polycyclic aromatic hydrocarbon (PAH) derivative of anthracene, featuring an ethyl substituent at the 2-position. This compound is primarily utilized in organic synthesis and materials science due to its role as an intermediate in the production of dyes, fluorescent compounds, and organic semiconductors. Its extended conjugated system enhances photophysical properties, making it valuable in optoelectronic applications. The ethyl group improves solubility in organic solvents compared to unsubstituted anthracene, facilitating processing in solution-based techniques. 2-Ethylanthracene exhibits stability under standard conditions and is compatible with various chemical transformations, enabling tailored modifications for specialized applications. Its well-defined structure and reactivity make it a reliable building block in advanced material development.
2-Ethylanthracene structure
2-Ethylanthracene structure
Product Name:2-Ethylanthracene
CAS No:52251-71-5
MF:C16H14
MW:206.282364368439
MDL:MFCD00003584
CID:382445
PubChem ID:40300
Update Time:2025-06-08

2-Ethylanthracene Chemical and Physical Properties

Names and Identifiers

    • 2-Ethylanthracene
    • 2-Ethyl-anthracene
    • Anthracene, 2-ethyl-
    • 2-Ethylanthracene1000μg
    • Anthracene,2-ethyl
    • BIDD:GT0589
    • EINECS 257-788-6
    • ZXAGXLDEMUNQSH-UHFFFAOYSA
    • 52251-71-5
    • ZXAGXLDEMUNQSH-UHFFFAOYSA-
    • FT-0640057
    • InChI=1/C16H14/c1-2-12-7-8-15-10-13-5-3-4-6-14(13)11-16(15)9-12/h3-11H,2H2,1H3
    • AKOS015912808
    • AS-76507
    • NS00032467
    • 25E7JMN54T
    • 2-Ethylanthracene, 98%
    • DTXSID40200289
    • AMY20779
    • F19708
    • DTXCID90122780
    • DB-052104
    • MDL: MFCD00003584
    • Inchi: 1S/C16H14/c1-2-12-7-8-15-10-13-5-3-4-6-14(13)11-16(15)9-12/h3-11H,2H2,1H3
    • InChI Key: ZXAGXLDEMUNQSH-UHFFFAOYSA-N
    • SMILES: C12C=C(C=CC=1C=C1C=CC=CC1=C2)CC

Computed Properties

  • Exact Mass: 206.11000
  • Monoisotopic Mass: 206.10955
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 232
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 5
  • Topological Polar Surface Area: 0

Experimental Properties

  • Color/Form: Not available
  • Density: 1.082
  • Melting Point: 152-153?°C(lit.)
  • Boiling Point: 364.3°Cat760mmHg
  • Flash Point: 165.1°C
  • Refractive Index: 1.673
  • PSA: 0.00000
  • LogP: 4.55540
  • Solubility: Not available

2-Ethylanthracene Security Information

  • Hazardous Material transportation number:UN 3077 9 / PGIII
  • WGK Germany:3
  • Hazard Category Code: 41-50/53
  • Safety Instruction: 26-39-60-61
  • Hazardous Material Identification: Xi N

2-Ethylanthracene Customs Data

  • HS CODE:2902909090
  • Customs Data:

    China Customs Code:

    2902909090

    Overview:

    2902909090. Other aromatic hydrocarbons. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:2.0%. general tariff:30.0%

    Declaration elements:

    Product Name, component content

    Summary:

    2902909090 other aromatic hydrocarbons.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:2.0%.General tariff:30.0%

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Additional information on 2-Ethylanthracene

Introduction to 2-Ethylanthracene (CAS No. 52251-71-5)

2-Ethylanthracene (CAS No. 52251-71-5) is a polycyclic aromatic hydrocarbon (PAH) that has garnered significant attention in the fields of chemistry, materials science, and environmental science. This compound is characterized by its unique molecular structure, which consists of three benzene rings fused together with an ethyl group attached to one of the rings. The chemical formula of 2-Ethylanthracene is C16H14, and it has a molecular weight of 206.30 g/mol.

The physical properties of 2-Ethylanthracene include a melting point of approximately 103-104°C and a boiling point of around 370°C. It is insoluble in water but highly soluble in organic solvents such as benzene, toluene, and chloroform. These properties make it a valuable compound for various applications, particularly in the synthesis of advanced materials and pharmaceuticals.

In recent years, research on 2-Ethylanthracene has focused on its potential applications in organic electronics and photovoltaic devices. Studies have shown that the unique electronic structure of 2-Ethylanthracene makes it an excellent candidate for use in organic light-emitting diodes (OLEDs) and organic solar cells. The compound's ability to efficiently transport charge carriers and its high photoluminescence quantum yield contribute to its suitability for these applications.

Beyond its use in electronics, 2-Ethylanthracene has also been explored for its potential in drug discovery and development. Researchers have investigated the compound's biological activities, including its anti-inflammatory and anti-cancer properties. For instance, a study published in the Journal of Medicinal Chemistry reported that derivatives of 2-Ethylanthracene exhibit potent inhibitory effects on cancer cell proliferation, making them promising candidates for further development as therapeutic agents.

The environmental impact of 2-Ethylanthracene has also been a subject of interest. As a PAH, it can be released into the environment through various industrial processes and combustion activities. Environmental scientists have conducted studies to assess the fate and behavior of 2-Ethylanthracene in soil, water, and air. These studies have provided valuable insights into the compound's persistence, bioaccumulation potential, and potential ecological risks.

In terms of synthesis, several methods have been developed to produce 2-Ethylanthracene. One common approach involves the Friedel-Crafts alkylation of anthracene with ethylene in the presence of a Lewis acid catalyst such as aluminum chloride. Another method involves the coupling reaction between anthracene and ethyl iodide using palladium-based catalysts. These synthetic routes offer flexibility in terms of yield and purity, making them suitable for both laboratory-scale synthesis and industrial production.

The safety profile of 2-Ethylanthracene is an important consideration for its handling and use. While it is not classified as a hazardous substance under current regulations, proper safety measures should be taken when working with this compound to prevent exposure through inhalation or skin contact. Personal protective equipment (PPE) such as gloves, goggles, and lab coats should be worn during handling.

In conclusion, 2-Ethylanthracene (CAS No. 52251-71-5) is a versatile compound with a wide range of applications in various fields. Its unique chemical structure and physical properties make it valuable for use in organic electronics, drug discovery, and environmental studies. Ongoing research continues to uncover new potential uses for this compound, further highlighting its significance in the scientific community.

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