Description

1-Bromo-3,5-bis(trifluoromethyl)benzene (CAS No. 328-70-1) is a high-purity halogenated aromatic compound with the molecular formula C₈H₃BrF₆. This specialized chemical features a benzene ring substituted with a bromine atom and two trifluoromethyl groups at the 1, 3, and 5 positions, respectively, offering unique reactivity for advanced synthetic applications. Its electron-deficient aromatic system makes it a valuable intermediate in organofluorine chemistry, pharmaceutical synthesis, and material science. Available in >98% purity (GC), this compound is supplied in rigorously tested batches with detailed analytical certificates (COA) to ensure consistency for sensitive research. Suitable for use in cross-coupling reactions (e.g., Suzuki, Stille), nucleophilic substitutions, and as a building block for liquid crystals or agrochemicals. Packaged under inert gas in amber glass vials to prevent degradation.

Properties

• CAS Number: 328-70-1
• Complexity: 198
• IUPAC Name: 1-bromo-3,5-bis(trifluoromethyl)benzene
• InChI: InChI=1S/C8H3BrF6/c9-6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H
• InChI Key: CSVCVIHEBDJTCJ-UHFFFAOYSA-N
• Exact Mass: 291.93223
• Molecular Formula: C8H3BrF6
• Molecular Weight: 293.00
• SMILES: C1=C(C=C(C=C1C(F)(F)F)Br)C(F)(F)F
• Monoisotopic Mass: 291.93223
• Synonyms: 328-70-1, 1-Bromo-3,5-bis(trifluoromethyl)benzene, Benzene, 1-bromo-3,5-bis(trifluoromethyl)-, 3,5-bis(trifluoromethyl)-1-bromobenzene, EINECS 206-334-5, CSVCVIHEBDJTCJ-UHFFFAOYSA-, DTXSID20186471, NSC 88284, DTXCID30108962, 206-334-5, inchi=1/c8h3brf6/c9-6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3h, 3,5-Bis(trifluoromethyl)bromobenzene, 1,3-Bis(trifluoromethyl)-5-bromobenzene, MFCD00000381, 3,5-di(Trifluoromethyl)bromobenzene, 3,5-bis-trifluoromethylbromobenzene, 1-Bromo-3,5-bis-trifluoromethyl-benzene, NSC88284, 3,5-bis(trifluoromethyl)phenyl bromide, NCIOpen2_005186, SCHEMBL131138, SCHEMBL697546, 3,5-Ditrifluoromethylbromobenzene, 3,5-bistrifluoromethylbromobenzene, 3,5-bis(trifluoromethy)bromobenzene, 3,5bis(trifluoromethyl)bromobenzene, CS-D0806, 3,5-bis-trifluoromethyl-bromobenzene, NSC-88284, 3.5-Bis(Trifluoromethyl)Bromobenzene, 3,5-B is(trifluoromethyl)bromobenzene, 3,5-bis(trifluoromethyl)bromo benzene, 3,5-di(trifluoromethyl)phenyl bromide, AKOS005257715, 3,5-bis (trifluoromethyl)phenylbromide, AC-9664, FB29935, PB11577, 3,5-bis-(trifluoromethyl)-bromobenzene, AS-12288, HY-75088, SY008891, 1-bromo-3,5-bis(trifluoromethyl)-benzene, 1-Bromo-3,5-bis(trifluoromethyl)benzene #, A5873, B1753, NS00041864, ST50826863, 1,3-Bis(trifluoromethyl)-5-bromobenzene, 99%, EN300-210281, m-Xylene, 5-bromo-alpha,alpha,alpha,alpha’,alpha’,alpha’-hexafluoro-

Application

This compound serves as a key intermediate in the synthesis of fluorinated pharmaceuticals and bioactive molecules due to its enhanced metabolic stability. Widely used in palladium-catalyzed cross-coupling reactions to create complex aryl structures for drug discovery. The trifluoromethyl groups impart lipophilicity, making derivatives valuable in agrochemical development. Also employed in materials science for constructing electron-accepting moieties in organic electronics.

Safety and Hazards

GHS Hazard Statements

• H315 (90.9%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (90.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (86.4%): 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 (90.9%)
• Eye Irrit. 2 (90.9%)
• STOT SE 3 (86.4%)

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