Description

2-Bromo-1,4-bis(trifluoromethyl)benzene (CAS No. 7617-93-8) is a high-purity aromatic compound with the molecular formula C₈H₃BrF₆. This specialized chemical features a bromine substituent and two trifluoromethyl groups positioned at the 1- and 4- locations on the benzene ring, making it a valuable intermediate for advanced organic synthesis. With a molecular weight of 293.01 g/mol, this compound is particularly useful in pharmaceutical research, agrochemical development, and materials science due to its unique electronic and steric properties. The presence of both bromine and trifluoromethyl groups allows for versatile functionalization via cross-coupling reactions, nucleophilic substitutions, and other transformations. Our product is rigorously tested to ensure >98% purity (GC) and is supplied in sealed containers under inert atmosphere to guarantee stability and shelf life. Ideal for researchers working on fluorinated compounds, liquid crystals, or bioactive molecules.

Properties

• CAS Number: 7617-93-8
• Complexity: 220
• IUPAC Name: 2-bromo-1,4-bis(trifluoromethyl)benzene
• InChI: InChI=1S/C8H3BrF6/c9-6-3-4(7(10,11)12)1-2-5(6)8(13,14)15/h1-3H
• InChI Key: GFQNSGHVOFVTLC-UHFFFAOYSA-N
• Exact Mass: 291.93223
• Molecular Formula: C8H3BrF6
• Molecular Weight: 293.00
• SMILES: C1=CC(=C(C=C1C(F)(F)F)Br)C(F)(F)F
• Monoisotopic Mass: 291.93223
• Synonyms: 2-bromo-1,4-bis(trifluoromethyl)benzene, 676-876-9, 2,5-Bis(trifluoromethyl)bromobenzene, 7617-93-8, 1-Bromo-2,5-bis(trifluoromethyl)benzene, 1,4-bis(trifluoromethyl)-2-bromobenzene, MFCD03094336, Benzene, 2-bromo-1,4-bis(trifluoromethyl)-, 2,5-Ditrifluoromethylbromobenzene, SCHEMBL290533, DTXSID10370488, 2,5-Bis-trifluoromethylbromobenzene, 2,5-bis-(trifluoromethyl)bromobenzene, AKOS003587358, 2,5-bis(trifluoromethyl)phenyl bromide, AC-2301, CS-W003003, AS-30446, SY016857, 2,5-Bis(trifluoromethyl)bromobenzene, 97%, B2545, ST50827035

Application

2-Bromo-1,4-bis(trifluoromethyl)benzene serves as a key building block in the synthesis of complex fluorinated aromatic systems for pharmaceutical candidates. The compound is particularly valuable in Suzuki-Miyaura and other palladium-catalyzed cross-coupling reactions to create biaryl structures with enhanced lipophilicity and metabolic stability. Its electron-withdrawing trifluoromethyl groups make it useful in the development of liquid crystal materials and organic electronic components. Researchers also employ this intermediate in the preparation of agrochemicals where the CF₃ groups improve pesticidal activity.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (83.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (83.3%)

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