Description
5-Bromo-2,3,4-trifluorobenzonitrile (CAS No. 1503508-74-4) is a high-purity fluorinated aromatic compound with the molecular formula C7HBrF3N. This specialty chemical is a valuable intermediate in organic synthesis, particularly in pharmaceutical and agrochemical research. The compound features a benzonitrile core substituted with bromine and three fluorine atoms at the 5-, 2-, 3-, and 4-positions, offering unique reactivity for cross-coupling reactions and nucleophilic substitutions. Our product is rigorously tested to ensure ≥95% purity (HPLC) and is supplied as a white to off-white crystalline powder under inert packaging to maintain stability. Ideal for use in Suzuki-Miyaura couplings, Buchwald-Hartwig aminations, and other palladium-catalyzed transformations.
Key Features:
- CAS: 1503508-74-4
- Molecular Weight: 228.00 g/mol
- Purity: ≥95% (HPLC)
- Storage: 2-8°C under inert atmosphere
- Synonyms: MFCD26679060, AKOS023095375
Properties
- CAS Number: 1503508-74-4
- Complexity: 214
- IUPAC Name: 5-bromo-2,3,4-trifluoro-benzonitrile
- InChI: InChI=1S/C7HBrF3N/c8-4-1-3(2-12)5(9)7(11)6(4)10/h1H
- InChI Key: GAHJQDHPDKXJSK-UHFFFAOYSA-N
- Exact Mass: 234.92445
- Molecular Formula: C7HBrF3N
- Molecular Weight: 235.99
- SMILES: C1=C(C(=C(C(=C1Br)F)F)F)C#N
- Topological: 23.8
- Monoisotopic Mass: 234.92445
- Synonyms: 5-Bromo-2,3,4-trifluorobenzonitrile, 1503508-74-4, 5-Bromo-2,3,4-trifluoro-benzonitrile, SCHEMBL27736729, MFCD26679060, AKOS023095375, CS-0377874
Application
5-Bromo-2,3,4-trifluorobenzonitrile serves as a versatile building block in medicinal chemistry for the synthesis of fluorinated drug candidates, leveraging its bromo- and cyano-functional groups for further derivatization. It is particularly useful in the development of kinase inhibitors and PET radiotracers due to its trifluorinated aromatic system. The compound’s electron-deficient ring system also makes it valuable in materials science for constructing liquid crystals and OLED intermediates.
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