Cas no 202667-45-6 (6-Methyl-1,2,3,5-tetrahydro-s-indacene)

6-Methyl-1,2,3,5-tetrahydro-s-indacene is a polycyclic hydrocarbon compound featuring a fused indacene core with a methyl substituent at the 6-position. Its partially saturated structure enhances stability while retaining reactivity for further functionalization, making it a valuable intermediate in organic synthesis and materials science. The compound's rigid, planar framework is advantageous for constructing conjugated systems or coordination complexes, particularly in the development of optoelectronic materials and catalysts. Its well-defined molecular architecture also facilitates precise structural modifications, enabling tailored applications in pharmaceutical research or polymer chemistry. The methyl group offers additional steric and electronic tuning possibilities, broadening its utility in specialized synthetic pathways.
6-Methyl-1,2,3,5-tetrahydro-s-indacene structure
202667-45-6 structure
Product Name:6-Methyl-1,2,3,5-tetrahydro-s-indacene
CAS No:202667-45-6
MF:C13H14
MW:170.250263690948
MDL:MFCD06797424
CID:241090
Update Time:2025-10-11

6-Methyl-1,2,3,5-tetrahydro-s-indacene Chemical and Physical Properties

Names and Identifiers

    • 6-Methyl-1,2,3,5-tetrahydro-s-indacene
    • 6-methyl-1,2,3,5-tetrahydros-indacene
    • s-Indacene,1,2,3,5-tetrahydro-6-methyl-
    • 1,2,3,5-TETRAHYDRO-6-METHYL-S-INDACENE
    • 5,6-cyclopenta-2-methylindene
    • 1W0IAN484S
    • 6-Methylindacene
    • PubChem15071
    • AHMSERHYRMNFKO-UHFFFAOYSA-N
    • DT1352
    • 0390AB
    • FCH853995
    • ST2412440
    • s-Indacene, 1,2,3,5-tetrahydro-6-methyl-
    • A814369
    • MDL: MFCD06797424
    • Inchi: 1S/C13H14/c1-9-5-12-7-10-3-2-4-11(10)8-13(12)6-9/h5,7-8H,2-4,6H2,1H3
    • InChI Key: AHMSERHYRMNFKO-UHFFFAOYSA-N
    • SMILES: C12C=C3CC(C)=CC3=CC=1CCC2

Computed Properties

  • Exact Mass: 170.11000
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 238
  • Topological Polar Surface Area: 0

Experimental Properties

  • Density: 1.071
  • Boiling Point: 276 oC
  • Flash Point: 117 oC
  • PSA: 0.00000
  • LogP: 3.13470

6-Methyl-1,2,3,5-tetrahydro-s-indacene 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 6-Methyl-1,2,3,5-tetrahydro-s-indacene

6-Methyl-1,2,3,5-Tetrahydro-S-Indacene: A Comprehensive Overview

6-Methyl-1,2,3,5-tetrahydro-s-indacene, also known by its CAS number 202667-45-6, is a unique organic compound that has garnered significant attention in the fields of chemistry and materials science. This compound belongs to the class of polycyclic aromatic hydrocarbons (PAHs), which are known for their stable structures and versatile applications. The name 6-methyl-1,2,3,5-tetrahydro-s-indacene reflects its structural composition: a fused bicyclic system with a methyl group at the sixth position and partial hydrogenation on the indacene framework.

The synthesis of 6-methyl-1,2,3,5-tetrahydro-s-indacene has been explored through various methods, including catalytic hydrogenation and directed metallation strategies. Recent studies have focused on optimizing these processes to achieve higher yields and better control over the stereochemistry of the product. For instance, researchers have employed transition metal catalysts such as palladium and nickel to facilitate the hydrogenation steps. These advancements have not only improved the synthesis efficiency but also opened new avenues for exploring its potential applications.

In terms of physical properties, 6-methyl-1,2,3,5-tetrahydro-s-indacene exhibits a melting point of approximately 180°C and a boiling point around 400°C under standard conditions. Its solubility in common organic solvents like dichloromethane and chloroform is moderate, making it suitable for various solution-based applications. The compound's UV-vis spectrum shows strong absorption bands in the range of 280–350 nm due to its conjugated π-system. These spectral properties make it a promising candidate for use in optoelectronic devices.

The chemical structure of 6-methyl-1,2,3,5-tetrahydro-s-indacene plays a crucial role in determining its reactivity and functionality. The presence of the methyl group at position six introduces steric hindrance and alters the electronic distribution within the molecule. This modification can influence its interaction with other molecules in solution or on surfaces. Recent computational studies have utilized density functional theory (DFT) to model the electronic structure of this compound and predict its reactivity under different conditions.

6-Methyl-1,2,3,5-tetrahydro-s-indacene has found applications in several areas of materials science. One notable application is in organic electronics where it serves as a building block for constructing functional materials such as semiconductors and light-emitting diodes (LEDs). Its ability to form self-assembled monolayers (SAMs) on various substrates has also been explored for use in surface modification and nanotechnology.

In addition to its technical applications, 6-methyl-1,2,3,5-tetrahydro-s-indacene has been studied for its potential biological effects. Recent research has examined its interaction with cellular systems and its role in modulating cellular signaling pathways. These studies suggest that the compound may possess bioactive properties that could be harnessed for therapeutic purposes.

The environmental impact of CAS No. 202667-45-6 has also been a topic of interest among researchers. Assessments have been conducted to evaluate its biodegradability and toxicity levels under different environmental conditions. Results indicate that while it is not inherently toxic at low concentrations,it may pose risks if exposed to prolonged or high-dose scenarios.

In conclusion, 6-methyl-1,2,3,5-tetrahydro-s-indacene (CAS No.. ) is a multifaceted compound with diverse applications across various scientific disciplines.The ongoing research into its synthesis properties,and applications continues to uncover new possibilities for this intriguing molecule.

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