Description

4-Bromo-2,3,5,6-tetrafluoroaniline (CAS No. 1998-66-9) is a high-purity fluorinated aromatic amine with the molecular formula C₆H₂BrF₄N. This compound is characterized by its unique tetrafluoro-substituted aniline structure, which includes a bromine atom at the para position, making it a versatile intermediate for advanced organic synthesis. Its high reactivity and electron-withdrawing properties are ideal for nucleophilic substitution reactions, cross-coupling reactions, and the synthesis of pharmaceuticals, agrochemicals, and specialty materials. Available in >98% purity (HPLC/GC), this product is rigorously tested for consistency and stability, ensuring optimal performance in research and industrial applications. Proper handling under inert conditions is recommended due to its sensitivity to moisture and air.

Properties

• CAS Number: 1998-66-9
• Complexity: 154
• IUPAC Name: 4-bromo-2,3,5,6-tetrafluoro-aniline
• InChI: InChI=1S/C6H2BrF4N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2
• InChI Key: LZUYSMHNMFCPBF-UHFFFAOYSA-N
• Exact Mass: 242.93067
• Molecular Formula: C6H2BrF4N
• Molecular Weight: 243.98
• SMILES: C1(=C(C(=C(C(=C1F)F)Br)F)F)N
• Topological: 26
• Monoisotopic Mass: 242.93067
• Synonyms: 4-Bromo-2,3,5,6-tetrafluoroaniline, 1998-66-9, DTXSID80347182, DTXCID10298254, 627-662-9, lzuysmhnmfcpbf-uhfffaoysa-n, 4-Bromotetrafluoroaniline, Benzenamine, 4-bromo-2,3,5,6-tetrafluoro-, MFCD00012144, 4-bromo-2,3,5,6-tetrafluorophenylamine, 2,3,5,6-Tetrafluoro-4-bromoaniline, SCHEMBL1335611, BBL104306, SBB099774, STK301685, AKOS003791036, 4-bromo-2,3,5,6-tetrafluorobenzenamine, PS-10128, SY009904, DB-045047, 4-Bromo-2,3,5,6-tetrafluoroaniline, 98%, CS-0120747, ST45061458

Application

4-Bromo-2,3,5,6-tetrafluoroaniline serves as a key building block in the synthesis of fluorinated pharmaceuticals, agrochemicals, and liquid crystal materials. Its electron-deficient aromatic ring facilitates Pd-catalyzed cross-coupling reactions (e.g., Suzuki, Heck) for creating complex fluorinated scaffolds. Researchers also utilize it to develop advanced polymers and ligands for catalysis. The bromo group allows further functionalization, enabling tailored modifications for target applications.

Safety and Hazards

GHS Hazard Statements

• H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (97.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (97.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (97.6%)
• Acute Tox. 4 (97.6%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (97.6%)
• STOT SE 3 (100%)

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