Description

alpha-Bromo-o-fluorotoluene (CAS No. 446-48-0) is a high-purity aromatic organobromine compound with the molecular formula C₇H₆BrF. This reagent, also known as 1-(bromomethyl)-2-fluorobenzene, is a versatile building block in synthetic organic chemistry, particularly for introducing the 2-fluorobenzyl moiety. The compound presents as a clear to pale yellow liquid with a characteristic aromatic odor, stored under inert conditions to prevent degradation. With a molecular weight of 189.03 g/mol, it is optimized for nucleophilic substitution reactions, Grignard reagent formation, and as a precursor in pharmaceutical and agrochemical intermediates. Our product is rigorously tested by GC-MS and ¹H/¹³C NMR to ensure >98% purity, packaged under nitrogen in amber glass bottles to maximize shelf life. Compatible with anhydrous reactions, it is particularly valuable in Suzuki couplings, phase-transfer catalysis, and heterocycle synthesis.

Properties

• CAS Number: 446-48-0
• Complexity: 85
• IUPAC Name: 1-(bromomethyl)-2-fluoro-benzene
• InChI: InChI=1S/C7H6BrF/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2
• InChI Key: FFWQLZFIMNTUCZ-UHFFFAOYSA-N
• Exact Mass: 187.96369
• Molecular Formula: C7H6BrF
• Molecular Weight: 189.02
• SMILES: C1=CC=C(C(=C1)CBr)F
• Monoisotopic Mass: 187.96369
• Synonyms: 2-Fluorobenzyl bromide, 446-48-0, alpha-Bromo-o-fluorotoluene, Benzene, 1-(bromomethyl)-2-fluoro-, EINECS 207-169-1, DTXSID50196240, DTXCID60118731, 207-169-1, 1-(Bromomethyl)-2-fluorobenzene, o-Fluorobenzyl bromide, 2-fluorobenzylbromide, 2-Fluoro-benzyl bromide, MFCD00000324, 2-fluoro-benzylbromide, 2-fluorobenzyl-bromide, orthofluorobenzyl bromide, 2-fluoro benzyl bromide, R66VUL5SDN, 1-bromomethylfluoro-benzene, SCHEMBL5054, 2-(Bromomethyl)fluorobenzene, 1-bromomethyl-2-fluorobenzene, SCHEMBL147101, 2-Fluorobenzyl bromide, 98%, 1-bromomethyl-2-fluoro-benzene, SCHEMBL15353049, SCHEMBL27731808, SCHEMBL28259373, 1-Fluoro-2-(bromomethyl)benzene, 1-(bromomethyl)-2- fluorobenzene, 1-(Bromomethyl)-2-fluorobenzene #, SBB058868, AKOS000446925, AC-26190, AC-26192, AS-11620, DB-024044, CS-0016013, F0209, NS00043478, ST51039915, EN300-20941, P20001, F0001-1217, 1-(Bromomethyl)-2-fluorobenzene; 2-(Bromomethyl)fluorobenzene; o-Fluorobenzyl Bromide; alpha-Bromo-2-fluorotoluene

Application

alpha-Bromo-o-fluorotoluene serves as a critical intermediate in the synthesis of fluorinated pharmaceuticals, including CNS-active compounds and kinase inhibitors. It is widely employed in palladium-catalyzed cross-coupling reactions to construct biaryl systems with ortho-fluorine substitution. The compound also finds use in material science for preparing fluorinated liquid crystals and as a photoactive moiety in polymer chemistry.

Safety and Hazards

GHS Hazard Statements

• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H335 (84.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (100%)
• STOT SE 3 (84.6%)

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