Description

3-Bromo-4-fluoroaniline (CAS No. 656-64-4) is a high-purity halogenated aniline derivative with the molecular formula C₆H₅BrFN. This aromatic amine features both bromine and fluorine substituents on the benzene ring, making it a versatile intermediate for advanced organic synthesis and pharmaceutical research. The compound is supplied as a crystalline solid with ≥98% purity (HPLC) and is rigorously tested for trace metals, moisture, and other impurities to ensure reproducibility in sensitive applications. Ideal for use in Suzuki couplings, Buchwald-Hartwig aminations, and other cross-coupling reactions due to its orthogonal reactivity. Packaged under inert gas in amber glass vials to prevent degradation, with optional bulk quantities available for industrial-scale applications. SDS and analytical certificates are provided with every order.

Properties

• CAS Number: 656-64-4
• Complexity: 99.1
• IUPAC Name: 3-bromo-4-fluoro-aniline
• InChI: InChI=1S/C6H5BrFN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2
• InChI Key: KOWPUNQBGWIERF-UHFFFAOYSA-N
• Exact Mass: 188.95894
• Molecular Formula: C6H5BrFN
• Molecular Weight: 190.01
• SMILES: C1=CC(=C(C=C1N)Br)F
• Topological: 26
• Monoisotopic Mass: 188.95894
• Synonyms: 3-Bromo-4-fluoroaniline, 656-64-4, 3-bromo-4-fluorobenzenamine, DTXSID20381368, DTXCID00332393, 613-829-3, 3-bromo-4-fluorophenylamine, 3-Bromo-4-fluoro Aniline, MFCD03788559, benzenamine, 3-bromo-4-fluoro-, EN300-85894, 3-bromo-4-fluoro-aniline, 3-Bromo-4-fluoro-phenylamine, 3-bromo-4-fluoraniline, 4-Fluoro-3-bromoaniline, 3-bromo 4-fluoro-aniline, SCHEMBL148505, SCHEMBL29015304, BDBM626222, SBB013145, STK785969, 3-Bromo-4-fluoroaniline, AldrichCPR, AKOS005257719, AC-3653, CS-W008702, PS-8397, SB40476, DB-024194, ST4131902, B2957

Application

3-Bromo-4-fluoroaniline serves as a key building block in the synthesis of agrochemicals, pharmaceuticals, and specialty materials. It is particularly valuable in the development of fluorinated drug candidates targeting CNS disorders and oncology. The compound’s orthogonal halogen reactivity enables sequential functionalization in combinatorial chemistry workflows. Researchers utilize it to create advanced intermediates for PET radiotracers and liquid crystal materials.

Safety and Hazards

GHS Hazard Statements

• H301 (10%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (90%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (10%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H312 (70%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (90%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H331 (10%): Toxic if inhaled [Danger Acute toxicity, inhalation]
• H332 (80%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (20%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (10%)
• Acute Tox. 4 (90%)
• Acute Tox. 3 (10%)
• Acute Tox. 4 (70%)
• Skin Irrit. 2 (80%)
• Eye Irrit. 2 (90%)
• Acute Tox. 3 (10%)
• Acute Tox. 4 (80%)
• STOT SE 3 (20%)

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