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322377

Sigma-Aldrich

Hexamethylbenzene

99%

Sinonimo/i:

1,2,3,4,5,6-Hexamethylbenzene, Mellitene

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About This Item

Formula condensata:
C6(CH3)6
Numero CAS:
Peso molecolare:
162.27
Beilstein:
1905834
Numero CE:
Numero MDL:
Codice UNSPSC:
12352100
ID PubChem:
NACRES:
NA.22

Saggio

99%

P. eboll.

264 °C (lit.)

Punto di fusione

164-166 °C (lit.)

Stringa SMILE

Cc1c(C)c(C)c(C)c(C)c1C

InChI

1S/C12H18/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1-6H3
YUWFEBAXEOLKSG-UHFFFAOYSA-N

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Descrizione generale

Hexamethylbenzene, also known as Mellitene, is an arene ligand that is commonly used as a precursor in the synthesis of organometallic complex.

Applicazioni


  • Ru(II)-Arene Complexes of Curcumin and Bisdesmethoxycurcumin Metabolites: Investigates the structure and reactivity of Ru(II)-arene complexes with curcumin metabolites, shedding light on potential applications in drug development and synthesis pathways involving hexamethylbenzene derivatives (Dyson et al., 2024).


  • Theoretical study on degradation of polymethyl substituted benzenes by OH radicals in the atmosphere: Offers a comprehensive computational analysis on the atmospheric reactions of polymethyl substituted benzenes, including hexamethylbenzene, with OH radicals, relevant for understanding their environmental impacts (Zhao et al., 2024).


  • Revisiting the bonding of the pentagonal-pyramidal C(6)H(6)(2+) and C(6)(CH(3))(6)(2+) dications: Explores the unique bonding and structural characteristics of hexamethylbenzene in dicationic forms, providing insights into its chemical behavior under various electronic conditions (Torres et al., 2023).

  • Naphthalene Diimide-Functionalized Half-Sandwich Ru(II) Complexes as Mitochondria-Targeted Anticancer and Antimetastatic Agents: Discusses the synthesis and biological evaluation of Ru(II) complexes involving hexamethylbenzene structures, aimed at developing new therapeutic agents (Yang et al., 2023).

  • Comparative Study on Carbon Erosion of Nickel Alloys in the Presence of Organic Compounds under Various Reaction Conditions: Examines the impact of organic compounds, including hexamethylbenzene, on the wear and corrosion of nickel alloys, relevant for industrial applications (Volodin et al., 2022).



Hexamethylbenzene is used as a reagent during the synthesis of ketodiepoxides via hydroxylation reactions.

Codice della classe di stoccaggio

11 - Combustible Solids

Classe di pericolosità dell'acqua (WGK)

WGK 3

Punto d’infiammabilità (°F)

Not applicable

Punto d’infiammabilità (°C)

Not applicable

Dispositivi di protezione individuale

Eyeshields, Gloves, type N95 (US)


Certificati d'analisi (COA)

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The pentagonal-pyramidal hexamethylbenzene dication: many shades of coordination chemistry at carbon
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High-level quantum-chemical methods show that the binding in the inclusion complex of hexamethylbenzene (HMB) in 6-cycloparaphenilacetylene (6-CPPA) cannot be explained only in terms of electrostatic interactions-caused by the polarization associated to curved pi-conjugated systems-and the inclusion of dispersion forces is

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