Description

4-Bromo-3-fluoroaniline (CAS: 656-65-5) is a high-purity aromatic amine derivative widely used in pharmaceutical, agrochemical, and materials science research. This compound, with the molecular formula C₆H₅BrFN, serves as a versatile intermediate for synthesizing complex organic molecules due to its reactive bromo and fluoro substituents. Its crystalline solid form and stability under standard conditions make it ideal for precise laboratory applications. Available in 97% purity, this product is rigorously tested via GC/MS, NMR, and HPLC to ensure consistency and reliability for demanding research workflows. Proper handling in a fume hood with PPE is recommended due to its potential toxicity.

Properties

• CAS Number: 656-65-5
• Complexity: 99.1
• IUPAC Name: 4-bromo-3-fluoro-aniline
• InChI: InChI=1S/C6H5BrFN/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2
• InChI Key: YTMVYYAKOPIJCZ-UHFFFAOYSA-N
• Exact Mass: 188.95894
• Molecular Formula: C6H5BrFN
• Molecular Weight: 190.01
• SMILES: C1=CC(=C(C=C1N)F)Br
• Topological: 26
• Monoisotopic Mass: 188.95894
• Synonyms: 4-Bromo-3-fluoroaniline, 656-65-5, DTXSID00356332, DTXCID70307391, 628-120-4, 4-Bromo-3-fluorophenylamine, 3-fluoro-4-bromoaniline, 4-BROMO-3-FLUORO ANILINE, Benzenamine, 4-bromo-3-fluoro-, 4-bromo-3-fluorobenzenamine, MFCD00672933, 3-Fluoro-4-bromoaniline; 4-Bromo-3-fluoroaniline; 4-Bromo-3-fluorobenzenamine; 4-Bromo-3-fluorophenylamine;, RTR8SB3SWD, 4-bromo-3-fluro-aniline, 4-bromo-3-fluoro-aniline, 4-Bromo-3-fluoro-phenylamine, SCHEMBL110499, SCHEMBL21494409, SCHEMBL28607410, 4-Bromo-3-fluoroaniline, 97%, BCP18515, MSK406029, SBB051695, AKOS005258570, AC-3655, CS-W008647, PS-8398, DB-025382, B2102, ST50408627, EN300-84911, AA-516/30011027

4-Bromo-3-fluoroaniline is primarily employed as a building block in the synthesis of active pharmaceutical ingredients (APIs) and specialty chemicals. Its halogenated structure facilitates cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, enabling the creation of biaryl compounds. Researchers also utilize it in dye synthesis and as a precursor for fluorinated liquid crystals in display technologies. Its dual functionality allows for selective modifications in medicinal chemistry projects targeting kinase inhibitors or agrochemicals.

Safety and Hazards

GHS Hazard Statements

• H302 (10.4%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (10.4%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (10.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (95.8%): 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 (10.4%)
• Acute Tox. 4 (10.4%)
• Skin Irrit. 2 (97.9%)
• Eye Irrit. 2 (97.9%)
• Acute Tox. 4 (10.4%)
• STOT SE 3 (95.8%)

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