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Merck

496901

4-Methyldibenzothiophene

96%

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About This Item

Fórmula empírica (notación de Hill):
C13H10S
Número CAS:
Peso molecular:
198.28
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:

Nombre del producto

4-Methyldibenzothiophene, 96%

InChI

1S/C13H10S/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11/h2-8H,1H3

SMILES string

Cc1cccc2c3ccccc3sc12

InChI key

NICUQYHIOMMFGV-UHFFFAOYSA-N

assay

96%

bp

298 °C (lit.)

mp

64-68 °C (lit.)

Quality Level

Application

4-Methyldibenzothiophene (MDBT) may be used in the synthesis of the following 2-substituted products:
  • 2-(3′-carboxypropanoyl)-4-methyldibenzothiophene
  • 2-acetyl-4-methyldibenzothiophene
  • 2-nitro-4-methyldibenzothiophene

General description

4-Methyldibenzothiophene (MDBT) is a refractory sulfur compound found in fuels. Its gas-phase molar enthalpy of formation has been derived. The hydrodesulfurization (HDS) of MDBT under various conditions have been reported.

Clase de almacenamiento

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)


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Hydrodesulfurization of 4-Methyldibenzothiophene and 4,6-dimethyldibenzothiophene on a CoMo/Al2O3 catalyst: Reaction network and kinetics.
Vanrysselberghe V, et al.
Industrial & Engineering Chemistry Research, 37(4), 1235-1242 (1998)
Hydrodesulfurization of sulfur-containing polyaromatic compounds in light oil.
Kabe T, et al.
Industrial & Engineering Chemistry Research, 31(6), 1577-1580 (1992)
Deep desulfurization of light oil. Part 2: hydrodesulfurization of dibenzothiophene, 4-methyldibenzothiophene and 4,6-dimethyldibenzothiophene.
Kabe T, et al.
Applied Catalysis A: General, 97(1), L1-L9 (1993)
Substitution reactions of 4-methyldibenzothiophene.
Campaigne E, et al.
Journal of Heterocyclic Chemistry, 6(4), 553-557 (1969)
Fátima Mirante et al.
Molecules (Basel, Switzerland), 25(21) (2020-10-31)
Two quaternary ammonium catalysts based on the monovacant polyoxotungstate ([PW11O39]7-, abbreviated as PW11) were prepared and characterized. The desulfurization performances of the PW11-based hybrids (of tetrabutylammonium and trimethyloctadecylammonium, abbreviated as TBA[PW11] and ODA[PW11], respectively), the corresponding potassium salt (K7PW11O39, abbreviated

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