ChemicalBook--->CAS DataBase List--->7372-88-5

7372-88-5

7372-88-5 Structure

7372-88-5 Structure
IdentificationBack Directory
[Name]

4-METHYLDIBENZOTHIOPHENE
[CAS]

7372-88-5
[Synonyms]

4-METHYLDIBENZOTHIOPHENE
Dibenzothiophene, 4-methyl-
4-Methyldibenzothiophene 96%
4-Methyldibenzothiophene ,97%
4-Methyldibenzo[b,d]thiophene
4-METHYLDIBENZOTHIOPHENE ISO 9001:2015 REACH
[Molecular Formula]

C13H10S
[MDL Number]

MFCD00216258
[MOL File]

7372-88-5.mol
[Molecular Weight]

198.28
Chemical PropertiesBack Directory
[Melting point ]

64-68 °C (lit.)
[Boiling point ]

298 °C (lit.)
[density ]

1.1424 (rough estimate)
[refractive index ]

1.6170 (estimate)
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[color ]

White to Off-White
[InChI]

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

NICUQYHIOMMFGV-UHFFFAOYSA-N
[SMILES]

Cc1cccc2c3ccccc3sc12
[LogP]

5.034 (est)
[EPA Substance Registry System]

Dibenzothiophene, 4-methyl- (7372-88-5)
Safety DataBack Directory
[WGK Germany ]

3
[HS Code ]

29349990
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Dibenzothiophene, 4-methyl-, 5,5-dioxide-->2-Methyl diphenyl sulfide-->2-(dibenzo[b,d]thiophen-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane-->Methyllithium-->1-Bromo-2-iodobenzene-->2-Methylbenzenethiol-->Iodomethane-->Trimethyl phosphate
[Preparation Products]

3-Phenyltoluene-->Benzofuran-->4 6-Diethyldibenzothiophene 97
Hazard InformationBack Directory
[Chemical Properties]

White solid
[Uses]

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
[Definition]

ChEBI: 4-Methyldibenzothiophene is a member of dibenzothiophenes.
[Synthesis Reference(s)]

Journal of Heterocyclic Chemistry, 27, p. 1737, 1990 DOI: 10.1002/jhet.5570270642
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

4-METHYLDIBENZOTHIOPHENE(7372-88-5)IR
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