Description

2-Bromo-3-fluoroaniline (CAS No. 111721-75-6) is a halogenated aniline derivative with the molecular formula C₆H₅BrFN. This high-purity aromatic amine is a valuable building block in organic synthesis, particularly in pharmaceutical and agrochemical research. The compound features both bromine and fluorine substituents on the aniline ring, offering unique reactivity for cross-coupling reactions and electrophilic substitutions.

Our product is rigorously tested to ensure >98% purity (HPLC) and is supplied as a clear to pale yellow liquid or crystalline solid, depending on storage conditions. Proper handling under inert atmosphere is recommended due to sensitivity to oxidation. Available in quantities ranging from grams to kilograms, this compound is ideal for medicinal chemistry, material science, and specialty chemical development.

Key specifications:
– Molecular Weight: 190.01 g/mol
– Boiling Point: ~230°C (estimated)<br- Storage: 2-8°C under nitrogen
– Hazard Codes: Xi (Irritant)

Properties

• CAS Number: 111721-75-6
• Complexity: 99.1
• IUPAC Name: 2-bromo-3-fluoro-aniline
• InChI: InChI=1S/C6H5BrFN/c7-6-4(8)2-1-3-5(6)9/h1-3H,9H2
• InChI Key: XZRSXRUYZXBTGD-UHFFFAOYSA-N
• Exact Mass: 188.95894
• Molecular Formula: C6H5BrFN
• Molecular Weight: 190.01
• SMILES: C1=CC(=C(C(=C1)F)Br)N
• Topological: 26
• Monoisotopic Mass: 188.95894
• Synonyms: 2-Bromo-3-fluoroaniline, 111721-75-6, DTXSID10563838, DTXCID20514614, 676-172-1, 2-Bromo-3-fluorophenylamine, 2-bromo-3-fluorobenzenamine, 2-Bromo-3-fluoro-phenylamine, MFCD07369915, BENZENAMINE, 2-BROMO-3-FLUORO-, SCHEMBL112689, XZRSXRUYZXBTGD-UHFFFAOYSA-N, (2-bromo-3-fluoro-phenyl)-amine, BBL101471, SBB070317, STL555267, 2-Bromo-3-fluoroaniline, AldrichCPR, AKOS005259412, AC-1578, CS-W003391, FB67928, PB39606, PS-8396, SY019784, DB-005994, A13660, EN300-142398

Application

2-Bromo-3-fluoroaniline serves as a versatile intermediate in the synthesis of fluorinated pharmaceutical compounds, particularly in the development of kinase inhibitors and CNS-active drugs. The compound’s orthogonal halogen substituents enable sequential functionalization via Buchwald-Hartwig amination or Suzuki-Miyaura coupling reactions. Researchers utilize this building block to create novel heterocyclic systems in medicinal chemistry programs. The fluorine atom provides metabolic stability to resulting compounds while the bromine serves as a handle for further derivatization.

Safety and Hazards

GHS Hazard Statements

• H315 (18.2%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (18.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H331 (81.8%): Toxic if inhaled [Danger Acute toxicity, inhalation]
• H335 (18.2%): 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, P316, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (18.2%)
• Eye Irrit. 2A (18.2%)
• STOT SE 3 (18.2%)

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