Description

1-Bromo-4-fluoro-2,3-dimethylbenzene (CAS No. 52548-00-2) 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. With a bromo and fluoro substituent on a dimethylbenzene backbone, it offers unique electronic and steric properties for cross-coupling reactions, nucleophilic substitutions, and other synthetic transformations. Our product is rigorously tested to ensure ≥98% purity (GC) and is supplied in sealed containers under inert atmosphere to guarantee stability. Ideal for advanced organic synthesis, this compound is available in quantities ranging from milligrams to multi-kilogram scale with customizable packaging options.

Properties

• CAS Number: 52548-00-2
• Complexity: 116
• IUPAC Name: 1-bromo-4-fluoro-2,3-dimethyl-benzene
• InChI: InChI=1S/C8H8BrF/c1-5-6(2)8(10)4-3-7(5)9/h3-4H,1-2H3
• InChI Key: OYWLDZXWISLBMC-UHFFFAOYSA-N
• Exact Mass: 201.97934
• Molecular Formula: C8H8BrF
• Molecular Weight: 203.05
• SMILES: CC1=C(C=CC(=C1C)Br)F
• Monoisotopic Mass: 201.97934
• Synonyms: 1-bromo-4-fluoro-2,3-dimethylbenzene, 642-793-1, 52548-00-2, 3-Bromo-6-fluoro-o-xylene, 1-bromo-2,3-dimethyl-4-fluorobenzene, 6-Bromo-3-fluoro-o-xylene, 6-bromo-3-fluoro-2-xylene, 4-Bromo-2,3-dimethylfluorobenzene, 6-bromo-3-fluoro-1,2-dimethylbenzene, MFCD03789115, 1-Bromo-2,3-dimethyl-4-fluorobenzene;1-Bromo-4-fluoro-2,3-dimethylbenzene, 1-bromo-4-fluoro-2,3-dimethyl-benzene, Benzene, 1-bromo-4-fluoro-2,3-dimethyl-, 3-fluoro-6-bromo-o-xylene, SCHEMBL2329832, SCHEMBL28831474, DTXSID50373690, OYWLDZXWISLBMC-UHFFFAOYSA-N, 2,3-dimethyl-4-bromofluorobenzene, BBL100517, SBB093052, STL554311, AKOS005254741, CS-W015479, 1-Bromo-4-fluoro-2, 3-dimethyl-benzene, AS-33072, SY238473, DB-007134, 1-bromo-4-fluoro-2 pound not3-dimethylbenzene, EN300-260489

1-Bromo-4-fluoro-2,3-dimethylbenzene serves as a key intermediate in Suzuki-Miyaura and Buchwald-Hartwig couplings for pharmaceutical lead optimization. Its electron-deficient aromatic system facilitates nucleophilic aromatic substitutions in agrochemical development. The compound’s steric hindrance from adjacent methyl groups makes it valuable for studying regioselectivity in metal-catalyzed reactions. Researchers also employ it as a precursor for liquid crystal materials and specialty polymers requiring halogenated aromatic monomers.

Safety and Hazards

GHS Hazard Statements

• H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (14.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (14.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (42.9%): 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (28.6%)
• Acute Tox. 4 (14.3%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 4 (14.3%)
• STOT SE 3 (42.9%)

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