496901

4-Methyldibenzothiophene

96%

• Empirical Formula (Hill Notation): C₁₃H₁₀S
• CAS Number: 7372-88-5
• Molecular Weight: 198.28
• MDL number: MFCD00216258
• UNSPSC Code: 12352100
• PubChem Substance ID: 24873091
• NACRES: NA.22

Properties

• Quality Level: 100
• 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

Description

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

Safety Information

• 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