ChemicalBook--->CAS DataBase List--->31543-75-6

31543-75-6

31543-75-6 Structure

31543-75-6 Structure
IdentificationMore
[Name]

2,4-DIBROMOTOLUENE
[CAS]

31543-75-6
[Synonyms]

2,4-DIBROMOTOLUENE
1,3-Dibromo-4-methylbenzene
2,4-dibromo-1-methyl-benzen
Benzene, 2,4-dibromo-1-methyl-
Benzene,2,4-dibromo-1-methyl-
2,4-Dibromo-1-methylbenzene
1-Methyl-2,4-dibromobenzene
[EINECS(EC#)]

250-689-9
[Molecular Formula]

C7H6Br2
[MDL Number]

MFCD00052985
[Molecular Weight]

249.93
[MOL File]

31543-75-6.mol
Chemical PropertiesBack Directory
[Melting point ]

-10 °C
[Boiling point ]

243 °C
[density ]

1.85
[Fp ]

109℃
[refractive index ]

1.601
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Liquid
[color ]

Light orange to Yellow to Green
[InChI]

InChI=1S/C7H6Br2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3
[InChIKey]

GHWYNNFPUGEYEM-UHFFFAOYSA-N
[SMILES]

C1(C)=CC=C(Br)C=C1Br
[CAS DataBase Reference]

31543-75-6(CAS DataBase Reference)
[EPA Substance Registry System]

2,4-Dibromotoluene (31543-75-6)
Safety DataBack Directory
[Hazard Codes ]

Xi
[TSCA ]

Yes
[HS Code ]

2903998090
Hazard InformationBack Directory
[Chemical Properties]

light yellow liquid
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 53, p. 5545, 1988 DOI: 10.1021/jo00258a030
[Synthesis]

Toluene

108-88-3

3,3'-Dimethylbiphenyl

612-75-9

2-Bromo-5-fluorotoluene

452-63-1

2-Bromotoluene

95-46-5

2,4-DIBROMOTOLUENE

31543-75-6

General procedure: 3,3'-dimethylbiphenyl, 2-bromo-5-fluorotoluene, 2-bromotoluene and 2,4-dibromotoluene were synthesized using the following general procedure: boron trifluoride (TFB) was pre-synthesized prior to use according to the literature methods [7-9]. The corresponding aromatics (4 mmol) were dissolved in Freon R 113 (4.1 mL) and the solution was cooled to -25 °C. The corresponding TFB (2 mmol) was slowly added to the aromatic solution under vigorous stirring, followed by removal of the cooling bath. The reaction mixture was stirred at 45 °C for 5 hours. Upon completion of the reaction, the reaction mixture was treated with H2O and filtered to remove the metal fluoride precipitate. Subsequently, the liquid phase was treated with 10% NaNO2 aqueous solution to remove traces of bromine and 30% CaCl2 aqueous solution to remove F- anions. Finally, Freon R 113 was removed from the organic phase by evaporation and the resulting product was purified by rapid chromatography on silica gel, the eluent being a hexane:EtOAc solvent mixture.

[References]

[1] Journal of Fluorine Chemistry, 2016, vol. 192, p. 120 - 123
Spectrum DetailBack Directory
[Spectrum Detail]

2,4-DIBROMOTOLUENE(31543-75-6)MS
2,4-DIBROMOTOLUENE(31543-75-6)1HNMR
2,4-DIBROMOTOLUENE(31543-75-6)13CNMR
2,4-DIBROMOTOLUENE(31543-75-6)IR1
Well-known Reagent Company Product InformationBack Directory
[TCI AMERICA]

2,4-Dibromotoluene,>98.0%(GC)(31543-75-6)
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