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About This Item
Empirical Formula (Hill Notation):
C13H10S
CAS Number:
Molecular Weight:
198.28
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Quality Level
Assay
96%
bp
298 °C (lit.)
mp
64-68 °C (lit.)
SMILES string
Cc1cccc2c3ccccc3sc12
InChI
1S/C13H10S/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11/h2-8H,1H3
InChI key
NICUQYHIOMMFGV-UHFFFAOYSA-N
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.
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
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
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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.
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Journal of Heterocyclic Chemistry, 6(4), 553-557 (1969)
Molecular energetics of 4-methyldibenzothiophene: An experimental study.
Freitas VLS, et al.
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