Description

2-Bromo-6-fluorotoluene (CAS No. 1422-54-4) is a high-purity halogenated aromatic compound with the molecular formula C₇H₆BrF and IUPAC name 1-bromo-3-fluoro-2-methylbenzene. This specialized chemical is rigorously synthesized and purified to meet the exacting standards of pharmaceutical, agrochemical, and materials science research. Its unique structure, featuring both bromine and fluorine substituents on a toluene backbone, makes it a versatile intermediate for cross-coupling reactions (e.g., Suzuki, Stille) and electrophilic aromatic substitutions. Available in quantities from milligrams to kilograms, our product undergoes thorough QC analysis (GC/HPLC, NMR) to ensure ≥98% purity, with batch-specific certificates of analysis provided. Proper storage in amber glass under inert atmosphere is recommended to maintain stability.

Properties

• CAS Number: 1422-54-4
• Complexity: 94.9
• IUPAC Name: 1-bromo-3-fluoro-2-methyl-benzene
• InChI: InChI=1S/C7H6BrF/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3
• InChI Key: DJGXPFQIMLEVPA-UHFFFAOYSA-N
• Exact Mass: 187.96369
• Molecular Formula: C7H6BrF
• Molecular Weight: 189.02
• SMILES: CC1=C(C=CC=C1Br)F
• Monoisotopic Mass: 187.96369
• Synonyms: 2-Bromo-6-fluorotoluene, 1422-54-4, 1-Bromo-3-fluoro-2-methylbenzene, DTXSID80371285, DTXCID40322319, 642-646-1, Benzene, 1-bromo-3-fluoro-2-methyl-, MFCD00051438, 2-fluoro-6-bromotoluene, 1-bromo-3-fluoro-2-methyl-benzene, 2-bromo-6-fluoro-toluene, SCHEMBL741586, SCHEMBL2286303, SCHEMBL14657513, SCHEMBL28552386, SCHEMBL29262467, SBB090875, AKOS005145624, AC-9815, CS-W002241, PS-8429, 1-bromanyl-3-fluoranyl-2-methyl-benzene, BP-11099, SY016478, DB-023738, B2392, ST50408761, EN300-23941, 1-Bromo-3-fluoro-2-methylbenzene, AldrichCPR, A807878, F8889-9258

Application

2-Bromo-6-fluorotoluene serves as a key building block in medicinal chemistry for the synthesis of fluorinated drug candidates, particularly kinase inhibitors and CNS-active compounds. Its orthogonal halogen/fluorine pattern enables sequential functionalization in Pd-catalyzed cross-couplings for scaffold diversification. The compound is also employed in liquid crystal and OLED material development, where the fluorine moiety modulates electronic properties. Researchers utilize it to introduce both bromine and fluorine handles for further derivatization in small molecule libraries.

Safety and Hazards

GHS Hazard Statements

• H227 (11.1%): Combustible liquid [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 (88.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 4 (11.1%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (88.9%)

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