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1207-12-1

1207-12-1 Structure

1207-12-1 Structure
IdentificationBack Directory
[Name]

4,6-DIMETHYLDIBENZOTHIOPHENE
[CAS]

1207-12-1
[Synonyms]

6-DMDBT
4,6-DMDBT
4,6-DIMETHYLDIBENZOTHIOPHENE
4,6-dimethyl-dibenzothiophen
Dibenzothiophene, 4,6-dimethyl-
4,6-Dimethyldibenzothiophene ,97%
4,6-diMethyldibenzo[b,d]thiophene
[EINECS(EC#)]

214-894-7
[Molecular Formula]

C14H12S
[MDL Number]

MFCD00216264
[MOL File]

1207-12-1.mol
[Molecular Weight]

212.31
Chemical PropertiesBack Directory
[Appearance]

light yellow to light brown crystalline solid
[Melting point ]

153-157 °C(lit.)
[Boiling point ]

312.16°C (rough estimate)
[density ]

1.1405 (rough estimate)
[refractive index ]

1.6170 (estimate)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

Crystalline Powder or Crystals
[color ]

White to beige
[InChI]

InChI=1S/C14H12S/c1-9-5-3-7-11-12-8-4-6-10(2)14(12)15-13(9)11/h3-8H,1-2H3
[InChIKey]

MYAQZIAVOLKEGW-UHFFFAOYSA-N
[SMILES]

C12=C(C)C=CC=C1C1=CC=CC(C)=C1S2
[EPA Substance Registry System]

Dibenzothiophene, 4,6-dimethyl- (1207-12-1)
Questions And AnswerBack Directory
[Preparation]

4,6-Dimethyldibenzothiophene can be obtained from 3-methylcyclohexane-2-enone as a starting material via a reaction with 3-methyl-2-(2-methylphenylthio)cyclohexane-2-enone intermediate, with 1,2,3,4-tetrahydro-4,6-dimethyldibenzothiophene as a byproduct.
Hazard InformationBack Directory
[Chemical Properties]

light yellow to light brown crystalline solid
[Uses]

4,6-Dimethyldibenzothiophene is used in petroleum desulfurization studies.
[General Description]

4,6-Dimethyldibenzothiophene (4,6-DMDBT), a high refractory sulfur compound, is commonly found in diesel fuel. Its synthesis has been reported. The hydrodesulfurization of 4,6-DMDBT using bulk nickel alloy, bulk tungsten phosphide (WP), NiMo sulfide supported on active carbons and molecularly imprinted polymers have been reported. The dielectric behavior of 4,6-DMDBT under different microwave frequencies and temperature has been investigated.
Safety DataBack Directory
[Safety Statements ]

24/25
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

29349990
[Storage Class]

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

Diethyl ether-->n-Butyllithium-->Hexane-->Nitrogen-->Iodomethane-->N,N,N',N'-Tetramethylethylenediamine-->Dibenzothiophene
[Preparation Products]

4 6-Diethyldibenzothiophene 97
Spectrum DetailBack Directory
[Spectrum Detail]

4,6-DIMETHYLDIBENZOTHIOPHENE(1207-12-1)1HNMR
4,6-DIMETHYLDIBENZOTHIOPHENE(1207-12-1)IR
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