322377

Hexamethylbenzene

99%

• Sinônimo(s): 1,2,3,4,5,6-Hexamethylbenzene, Mellitene
• Fórmula linear: C₆(CH₃)₆
• Número CAS: 87-85-4
• Peso molecular: 162.27
• Beilstein: 1905834
• Número CE: 201-777-0
• Número MDL: MFCD00008523
• Código UNSPSC: 12352100
• ID de substância PubChem: 24859313
• NACRES: NA.22

Propriedades

• Nível de qualidade: 100
• Ensaio: 99%
• p.e.: 264 °C (lit.)
• pf: 164-166 °C (lit.)
• cadeia de caracteres SMILES: 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
• chave InChI: YUWFEBAXEOLKSG-UHFFFAOYSA-N

Descrição

Descrição geral

Hexamethylbenzene, also known as Mellitene, is an arene ligand that is commonly used as a precursor in the synthesis of organometallic complex. [1] [2] [3]

Aplicação

• 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. [3]

Informações de segurança

• Código de classe de armazenamento: 11 - Combustible Solids
• Classe de risco de água (WGK): WGK 3
• Ponto de fulgor (°F): Not applicable
• Ponto de fulgor (°C): Not applicable
• Equipamento de proteção individual: Eyeshields, Gloves, type N95 (US)