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1422-54-4

1422-54-4 Structure

1422-54-4 Structure
IdentificationMore
[Name]

2-Bromo-6-fluorotoluene
[CAS]

1422-54-4
[Synonyms]

1-BROMO-3-FLUORO-2-METHYLBENZENE
2-BROMO-6-FLUOROTOLUENE
Bromofluorotoluene3
2-Fluoro-6-Bromo Toluene
6-Bromo-2-fluorotoluene
2-Bromo-6-fluorotoluene 98%
2-Bromo-6-fluorotoluene98%
[Molecular Formula]

C7H6BrF
[MDL Number]

MFCD00051438
[Molecular Weight]

189.02
[MOL File]

1422-54-4.mol
Questions And AnswerBack Directory
[Preparation]

9.3 g (0.05 mol) of 2-bromo-6-aminotoluene and 43.6 g (0.20 mol) of 40% HBF4 solution were added to a 150 mL four-necked flask. The reaction was carried out at 25 °C for 1 h, then cooled to -5 °C in an ice-salt bath. 11.5 g (0.055 mol) of 33% NaNO2 solution was added dropwise, and the mixture was stirred at -5 °C for another 1 h. The mixture was filtered, washed with anhydrous ethanol (30 mL × 2), and dried under vacuum to obtain 13.9 g of diazonium fluoroborate. In a dry 250 mL four-necked flask, 50 mL of petroleum ether was added and heated to 70 °C. The dried diazonium fluoroborate was added in portions, producing a large amount of fumes. These fumes were absorbed with 10% NaOH solution until no more fumes were produced, at which point the reaction was stopped. Steam distillation yielded 6.5 g of 2-bromo-6-fluorotoluene with a purity of 99.3% (GC) and a yield of 68.5%.
Chemical PropertiesBack Directory
[Boiling point ]

75-76°C 10mm
[density ]

1.53
[refractive index ]

1.535
[Fp ]

76°C
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[BRN ]

2433658
[InChI]

InChI=1S/C7H6BrF/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3
[InChIKey]

DJGXPFQIMLEVPA-UHFFFAOYSA-N
[SMILES]

C1(Br)=CC=CC(F)=C1C
[CAS DataBase Reference]

1422-54-4(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29039990
Hazard InformationBack Directory
[Chemical Properties]

Colorlessto light yellow liquid
[Uses]

2-Bromo-6-fluorotoluene is a toluene derivative, its structure contains bromine and fluorine atom active groups, so it has a high chemical reactivity and easily substitution and fluorination reaction with other compounds. It is mainly used as raw material or intermediate of organic synthesis.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Bromo-6-fluorotoluene(1422-54-4)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2-Bromo-6-fluorotoluene, 98%(1422-54-4)
[TCI AMERICA]

2-Bromo-6-fluorotoluene,>98.0%(GC)(1422-54-4)
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