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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
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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
Related Categories
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
Certificates of Analysis (COA)
Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.
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Substitution reactions of 4-methyldibenzothiophene.
Campaigne E, et al.
Journal of Heterocyclic Chemistry, 6(4), 553-557 (1969)
Molecular energetics of 4-methyldibenzothiophene: An experimental study.
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The Journal of Chemical Thermodynamics, 42(2), 251-255 (2010)
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)
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