Description

2-Bromo-5-fluoro-1,3-dimethylbenzene (CAS No. 14659-58-6) is a high-purity halogenated aromatic compound with the molecular formula C₈H₈BrF. This specialty chemical is widely utilized in pharmaceutical, agrochemical, and materials science research due to its versatile reactivity as a building block for complex organic synthesis. The compound features a bromo and fluoro substituent on a dimethylbenzene backbone, enabling selective functionalization in cross-coupling reactions, nucleophilic substitutions, and other advanced transformations. Supplied as a clear to pale yellow liquid with >98% purity (GC), it is rigorously tested for consistency and stored under optimal conditions to ensure stability. Ideal for researchers developing novel drug candidates, catalysts, or advanced materials, this reagent is packaged in amber glass vials under inert gas to prevent degradation.

Properties

• CAS Number: 14659-58-6
• Complexity: 104
• IUPAC Name: 2-bromo-5-fluoro-1,3-dimethyl-benzene
• InChI: InChI=1S/C8H8BrF/c1-5-3-7(10)4-6(2)8(5)9/h3-4H,1-2H3
• InChI Key: SIZYXYRNXJSAON-UHFFFAOYSA-N
• Exact Mass: 201.97934
• Molecular Formula: C8H8BrF
• Molecular Weight: 203.05
• SMILES: CC1=CC(=CC(=C1Br)C)F
• Monoisotopic Mass: 201.97934
• Synonyms: 2-bromo-5-fluoro-1,3-dimethylbenzene, 14659-58-6, DTXSID10660311, DTXCID10611060, 867-360-6, 2-Bromo-5-fluoro-m-xylene, Benzene, 2-bromo-5-fluoro-1,3-dimethyl-, 2-Bromo-1,3-dimethyl-5-fluorobenzene, 1-bromo-2,6-dimethyl-4-fluorobenzene, MFCD09864702, 2-bromo-5-fluoro-1,3-dimethyl-benzene, 4-fluor-2,6-dimethylbromo benzene, 2,6-Dimethyl-4-fluorobromobenzene, SCHEMBL2841151, SBB093053, AKOS015998828, CS-W018671, SB75053, DS-15915, SY046998, 2-Bromo-5-fluoro-1 pound not3-dimethylbenzene, EN300-263607

2-Bromo-5-fluoro-1,3-dimethylbenzene serves as a key intermediate in Suzuki-Miyaura and Buchwald-Hartwig couplings for pharmaceutical synthesis. Its electron-deficient aromatic ring facilitates electrophilic substitutions in agrochemical research. The compound is also employed in ligand design for transition metal catalysts and as a precursor for liquid crystal materials. Researchers value its stability and reactivity in palladium-catalyzed transformations.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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