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Merck
CN

496901

4-Methyldibenzothiophene

96%

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About This Item

Empirical Formula (Hill Notation):
C13H10S
CAS Number:
Molecular Weight:
198.28
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
96%
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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

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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Synthesis of supported SiW12O40-based ionic liquid catalyst induced solvent-free oxidative deep-desulfurization of fuels.
Xun S, et al.
Chemical Engineering Journal, 288, 608-617 (2016)
Molecular energetics of 4-methyldibenzothiophene: An experimental study.
Freitas VLS, et al.
The Journal of Chemical Thermodynamics, 42(2), 251-255 (2010)
Substitution reactions of 4-methyldibenzothiophene.
Campaigne E, et al.
Journal of Heterocyclic Chemistry, 6(4), 553-557 (1969)



Global Trade Item Number

SKUGTIN
496901-5G04061832417370