Description

4-Bromo-3-fluorotoluene (CAS No. 452-74-4) is a high-purity halogenated aromatic compound with the molecular formula C₇H₆BrF and IUPAC name 1-bromo-2-fluoro-4-methylbenzene. This organofluorine building block features a bromine and fluorine substituent on a toluene backbone, offering versatile reactivity for cross-coupling reactions, nucleophilic substitutions, and electrophilic aromatic substitutions. Ideal for pharmaceutical intermediates, agrochemical synthesis, and materials science research, our product is rigorously tested to meet >98% purity standards (GC) with controlled moisture and impurity profiles. Supplied in amber glass bottles under inert gas to ensure stability, it is a critical reagent for Suzuki-Miyaura couplings and directed ortho-metalation reactions. SDS and analytical certificates available upon request.

Properties

• CAS Number: 452-74-4
• Complexity: 94.9
• IUPAC Name: 1-bromo-2-fluoro-4-methyl-benzene
• InChI: InChI=1S/C7H6BrF/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3
• InChI Key: SLFNGVGRINFJLK-UHFFFAOYSA-N
• Exact Mass: 187.96369
• Molecular Formula: C7H6BrF
• Molecular Weight: 189.02
• SMILES: CC1=CC(=C(C=C1)Br)F
• Monoisotopic Mass: 187.96369
• Synonyms: 4-Bromo-3-fluorotoluene, 452-74-4, DTXSID60341466, DTXCID80292547, 629-423-4, 1-Bromo-2-fluoro-4-methylbenzene, 3-fluoro-4-bromotoluene, MFCD00040940, Benzene, 1-bromo-2-fluoro-4-methyl-, 3-fluoro-4-bromo-toluene, 1-BROMO-2-FLUORO-4-METHYL-BENZENE, 4-bromo3-fluorotoluene, SCHEMBL157146, SCHEMBL4044340, SCHEMBL9795831, SCHEMBL9795840, SCHEMBL20490056, 4-Bromo-3-fluorotoluene, 98%, SLFNGVGRINFJLK-UHFFFAOYSA-, BCP24574, SBB090876, AKOS005145622, AB01835, AC-9817, CS-W008820, PS-8428, DB-024063, B1935, ST50405283, EN300-174934, InChI=1/C7H6BrF/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3

Application

4-Bromo-3-fluorotoluene serves as a key intermediate in the synthesis of fluorinated active pharmaceutical ingredients (APIs) and liquid crystal materials. Its orthogonal halogen/fluorine substitution pattern enables selective functionalization in palladium-catalyzed cross-coupling reactions. Researchers utilize this compound to develop novel PET radiotracers and agrochemicals due to its metabolic stability imparted by the fluorine atom. The methyl group further allows for downstream oxidation to carboxylic acid derivatives.

Safety and Hazards

GHS Hazard Statements

• H226 (89.4%): Flammable liquid and vapor [Warning Flammable liquids]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (89.4%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.9%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.