322377
Hexamethylbenzene
99%
Synonym(s):
1,2,3,4,5,6-Hexamethylbenzene, Mellitene
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About This Item
Linear Formula:
C6(CH3)6
CAS Number:
Molecular Weight:
162.27
Beilstein:
1905834
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Assay
99%
bp
264 °C (lit.)
mp
164-166 °C (lit.)
SMILES string
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
InChI key
YUWFEBAXEOLKSG-UHFFFAOYSA-N
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General description
Hexamethylbenzene, also known as Mellitene, is an arene ligand that is commonly used as a precursor in the synthesis of organometallic complex.
Application
- 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.
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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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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