| Identification | More | [Name]
2-Bromo-5-fluorotoluene | [CAS]
452-63-1 | [Synonyms]
1-BROMO-4-FLUORO-2-METHYLBENZENE
2-BROMO-5-FLUOROTOLUENE
3-FLUORO-6-BROMOTOLUENE
Benzene, 1-bromo-4-fluoro-2-methyl-
2-Bromo-5-fuluorotoluene
2-Bromo-5-fluorotoluene,98+%
2-Bromo-5-fluorotoluene 98%
2-BROMO-5-FULUOROTOLRENE
2-Bromo-5-flurotoluene
2-bromo-5-fluoro-1-methylbenzene
1-Bromo-2-methyl-4-fluorobenzene | [EINECS(EC#)]
207-203-5 | [Molecular Formula]
C7H6BrF | [MDL Number]
MFCD00017921 | [Molecular Weight]
189.02 | [MOL File]
452-63-1.mol |
| Chemical Properties | Back Directory | [Appearance]
colorless to light yellow liqui | [Boiling point ]
177 °C/756 mmHg (lit.) | [density ]
1.495 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.526(lit.)
| [Fp ]
113 °F
| [storage temp. ]
Flammables area | [solubility ]
Difficult to mix. | [form ]
clear liquid | [color ]
Colorless to Light yellow to Light orange | [Specific Gravity]
1.495 | [Water Solubility ]
INSOLUBLE | [Detection Methods]
GC,NMR | [BRN ]
1859121 | [InChI]
InChI=1S/C7H6BrF/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3 | [InChIKey]
RJPNVPITBYXBNB-UHFFFAOYSA-N | [SMILES]
C1(Br)=CC=C(F)C=C1C | [CAS DataBase Reference]
452-63-1(CAS DataBase Reference) | [NIST Chemistry Reference]
2-Bromo-5-fluorotoluene(452-63-1) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking .
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 .
S37/39:Wear suitable gloves and eye/face protection . | [RIDADR ]
UN 1993 3/PG 3
| [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29039900 |
| Hazard Information | Back Directory | [Chemical Properties]
colorless to light yellow liqui | [Uses]
2-Bromo-5-fluorotoluene is used to produce other chemicals. It can produce 2-Bromo-5-fluoro-benzoic acid. The reaction occurs with reagent KMnO4, solvent H2O and other condition of heating. | [Synthesis]
General procedure: The general procedure for the synthesis of 3,3'-dimethylbiphenyl, 2-bromo-5-fluorotoluene, 2-bromotoluene, and 2,4-dibromotoluene from toluene was as follows: boron trifluoride (TFB) was synthesized directly according to the literature methodology [7-9] before use. The corresponding aromatics (4 mmol) were dissolved in Freon R 113 (4.1 mL) and the solution was cooled to -25 °C. Under vigorous stirring, the corresponding TFB (2 mmol) was slowly added to the aryl hydrocarbon solution, 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. The liquid phase was treated with 10% NaNO2 aqueous solution to remove trace bromine and 30% CaCl2 aqueous solution to remove F- anions. 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] Manfred Baumgarth, & Rolf Gericke. “A Concise and Efficient Synthesis of [2-Methyl-5-methylsulfonyl-4-(pyrrol-1-yl)benzoyl]guanidinium Methanesulfonate (Eniporide).” European Journal of Organic Chemistry 2000 12 (2000): 2253–2255.
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