Atomfair 2-Bromo-4-fluorobenzotrifluoride C7H3BrF4 CAS 351003-21-9

Description

2-Bromo-4-fluorobenzotrifluoride (CAS: 351003-21-9) is a high-purity halogenated aromatic compound with the molecular formula C₇H₃BrF₄. This specialty chemical features a trifluoromethyl group and bromo-fluoro substitution, making it a versatile building block for advanced organic synthesis. The compound is supplied as a clear, colorless to pale yellow liquid with a purity of ≥97%, ensuring consistent performance in demanding applications. Its unique structure enables precise modifications in pharmaceuticals, agrochemicals, and materials science. Packaged under inert gas to maintain stability, this product is ideal for researchers requiring reliable intermediates for coupling reactions, fluorination studies, and functional group transformations.

Properties

• CAS Number: 351003-21-9
• Complexity: 156
• IUPAC Name: 2-bromo-4-fluoro-1-(trifluoromethyl)benzene
• InChI: InChI=1S/C7H3BrF4/c8-6-3-4(9)1-2-5(6)7(10,11)12/h1-3H
• InChI Key: XBBGYSIEJHXPLL-UHFFFAOYSA-N
• Exact Mass: 241.93543
• Molecular Formula: C7H3BrF4
• Molecular Weight: 243.00
• SMILES: C1=CC(=C(C=C1F)Br)C(F)(F)F
• Monoisotopic Mass: 241.93543
• Synonyms: 2-Bromo-4-fluorobenzotrifluoride, 351003-21-9, 2-bromo-4-fluoro-1-(trifluoromethyl)benzene, DTXSID50370568, DTXCID20321603, 642-466-3, MFCD03094041, Benzene, 2-bromo-4-fluoro-1-(trifluoromethyl)-, 1-Bromo-2-trifluoromethyl-5-fluorobenzene, SCHEMBL457729, 4-fluoro-2-bromobenzotrifluoride, 2-bromo-4-fluorobenzo trifluoride, BBL101394, CL8616, SBB099652, STL555190, 2-bromo-4-fluorotrifluoromethylbenzene, AKOS005258427, AC-2331, CS-W005612, 2-Bromo-4-fluorobenzotrifluoride, 97%, DS-12679, SY009426, 2-bromo-4-fluoro-1-trifluoromethylbenzene, 2-Bromo-4-fluoro-1-trifluoromethyl-benzene, B3397, 2-Bromo-alpha,alpha,alpha,4-tetrafluorotoluene, EN300-706001

2-Bromo-4-fluorobenzotrifluoride serves as a critical intermediate in Suzuki-Miyaura cross-coupling reactions for pharmaceutical development. Its electron-withdrawing trifluoromethyl group enhances reactivity in nucleophilic aromatic substitutions, facilitating the synthesis of bioactive molecules. The compound is particularly valuable in creating fluorinated liquid crystals for display technologies and as a precursor for PET radiotracer synthesis. Researchers also utilize it to study structure-activity relationships in medicinal chemistry due to its balanced lipophilicity and metabolic stability.

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 (44.4%): 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. 2A (100%)
• STOT SE 3 (44.4%)

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