Description

2-(Trifluoromethoxy)benzyl bromide (CAS: 198649-68-2) is a highly specialized organic compound with the molecular formula C₈H₆BrF₃O. This aromatic bromide is widely utilized in pharmaceutical and agrochemical research as a key intermediate for the synthesis of complex molecules. Its trifluoromethoxy group enhances lipophilicity and metabolic stability, making it valuable in drug discovery. The product is supplied as a high-purity reagent (≥95%) with strict quality control to ensure consistency in sensitive applications. Proper storage under inert conditions is recommended to maintain stability.

Properties

• CAS Number: 198649-68-2
• Complexity: 160
• IUPAC Name: 1-(bromomethyl)-2-(trifluoromethoxy)benzene
• InChI: InChI=1S/C8H6BrF3O/c9-5-6-3-1-2-4-7(6)13-8(10,11)12/h1-4H,5H2
• InChI Key: TUNSVUOTVLWNQT-UHFFFAOYSA-N
• Exact Mass: 253.95541
• Molecular Formula: C8H6BrF3O
• Molecular Weight: 255.03
• SMILES: C1=CC=C(C(=C1)CBr)OC(F)(F)F
• Topological: 9.2
• Monoisotopic Mass: 253.95541
• Synonyms: 2-(Trifluoromethoxy)benzyl bromide, 198649-68-2, DTXSID80380438, DTXCID20331464, 642-461-6, 1-(bromomethyl)-2-(trifluoromethoxy)benzene, Benzene, 1-(bromomethyl)-2-(trifluoromethoxy)-, [2-(bromomethyl)phenoxy]trifluoromethane, alpha-Bromo-2-(trifluoromethoxy)toluene, MFCD00236321, SCHEMBL121522, 2-trifluoromethoxybenzyl bromide, TUNSVUOTVLWNQT-UHFFFAOYSA-, 2-(trifluromethoxy)benzyl bromide, SBB101526, AKOS007930186, AC-7451, FT37272, AS-12523, DB-023801, ST51040058, T2311, EN300-1933452, InChI=1/C8H6BrF3O/c9-5-6-3-1-2-4-7(6)13-8(10,11)12/h1-4H,5H2

2-(Trifluoromethoxy)benzyl bromide serves as a versatile building block in medicinal chemistry, particularly for introducing the 2-(trifluoromethoxy)benzyl moiety into target molecules. It is employed in Suzuki-Miyaura cross-coupling reactions and nucleophilic substitutions to develop bioactive compounds. Researchers also use it to synthesize ligands for G-protein-coupled receptors (GPCRs) and enzyme inhibitors. Its applications extend to material science for modifying polymers with fluorinated aromatic groups.

Safety and Hazards

GHS Hazard Statements

• H290 (16.7%): May be corrosive to metals [Warning Corrosive to Metals]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H318 (16.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (16.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (16.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P337+P317, P363, P390, P403+P233, P405, P406, and P501

Hazard Classes and Categories

• Met. Corr. 1 (16.7%)
• Skin Corr. 1C (100%)
• Eye Dam. 1 (16.7%)
• Eye Irrit. 2 (16.7%)
• STOT SE 3 (16.7%)

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