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322377

Sigma-Aldrich

Hexamethylbenzene

99%

Synonim(y):

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

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About This Item

Wzór liniowy:
C6(CH3)6
Numer CAS:
87-85-4
Masa cząsteczkowa:
162.27
Beilstein:
1905834
Numer WE:
201-777-0
Numer MDL:
MFCD00008523
Kod UNSPSC:
12352100
Identyfikator substancji w PubChem:
24859313
NACRES:
NA.22

Próba

99%

tw

264 °C (lit.)

mp

164-166 °C (lit.)

ciąg 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

Klucz InChI

YUWFEBAXEOLKSG-UHFFFAOYSA-N

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Opis ogólny

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

Zastosowanie


  • 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.
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Kod klasy składowania

11 - Combustible Solids

Klasa zagrożenia wodnego (WGK)

WGK 3

Temperatura zapłonu (°F)

Not applicable

Temperatura zapłonu (°C)

Not applicable

Środki ochrony indywidualnej

Eyeshields, Gloves, type N95 (US)

Certyfikaty analizy (CoA)

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1,2,3,5-Tetramethylbenzene AldrichCPR

Sigma-Aldrich

CDS000400

1,2,3,5-Tetramethylbenzene

Dibenzothiophene 98%

Sigma-Aldrich

D32202

Dibenzothiophene

Yaw Kai Yan et al.
Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry, 11(4), 483-488 (2006-04-11)
Ruthenium(II) arene anticancer complexes [(eta6-arene)Ru(en)Cl]PF6 (arene is hexamethylbenzene, p-cymene, indan; en is ethylenediamine) can catalyse regioselective reduction of NAD+ by formate in water to form 1,4-NADH, at pD 7.2, 37 degrees C, and in the presence of air. The catalytic
I García Cuesta et al.
Chemphyschem : a European journal of chemical physics and physical chemistry, 7(12), 2503-2507 (2006-10-24)
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
H J Jakobsen et al.
Journal of magnetic resonance (San Diego, Calif. : 1997), 156(1), 152-154 (2002-06-26)
The design of a broadband 4-mm magic-angle spinning (MAS) X-(1)H/(19)F double resonance probe for cross-polarization (CP)/MAS NMR studies at 21.15 T ((1)H at 900 MHz) is described. The high-frequency (1)H/(19)F channel employs a new and efficient transmission line tuning design.
Kohji Yamamoto et al.
Physical chemistry chemical physics : PCCP, 7(9), 1945-1952 (2005-05-07)
We have measured the frequency dependent extinction coefficients and refractive indices of electron donor-acceptor (EDA) complexes consisting of hexamethylbenzene (HMB; electron donor) and tetracyanoethylene (TCNE; electron acceptor) in the low-frequency region by terahertz time-domain spectroscopy (THz-TDS). A mixture of the
Xiang Ma et al.
Journal of magnetic resonance (San Diego, Calif. : 1997), 211(2), 134-142 (2011-06-15)
We report on an analysis of a well known three-pulse sequence for generating and detecting spin I=1 quadrupolar order when various pulse errors are taken into account. In the situation of a single quadrupolar frequency, such as the case found
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