Description

4-Fluoro-2-iodoaniline (CAS No. 61272-76-2) is a high-purity halogenated aniline derivative with the molecular formula C₆H₅FIN. This compound features a unique combination of fluorine and iodine substituents on an aniline backbone, making it a valuable intermediate for pharmaceutical synthesis, agrochemical development, and advanced material research. Its precise molecular weight (237.01 g/mol) and well-defined structure ensure consistency in coupling reactions, cross-coupling catalysis (e.g., Buchwald-Hartwig amination), and heterocycle formation. Packaged under inert gas to prevent degradation, our ≥98% purity grade is ideal for sensitive applications. Available in amber vials or bulk quantities with optional COA/MSDS documentation upon request.

Properties

• CAS Number: 61272-76-2
• Complexity: 99.1
• IUPAC Name: 4-fluoro-2-iodo-aniline
• InChI: InChI=1S/C6H5FIN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
• InChI Key: SETOTRGVPANENO-UHFFFAOYSA-N
• Exact Mass: 236.94507
• Molecular Formula: C6H5FIN
• Molecular Weight: 237.01
• SMILES: C1=CC(=C(C=C1F)I)N
• Topological: 26
• Monoisotopic Mass: 236.94507
• Synonyms: 4-fluoro-2-iodoaniline, 61272-76-2, DTXSID30380847, DTXCID10331872, 673-615-0, 2-iodo-4-fluoroaniline, 4-fluoro-2-iodophenylamine, EN300-86398, 4-fluoro-2-indoaniline, Benzenamine, 4-fluoro-2-iodo-, 4-fluoro-2-iodo-aniline, MFCD00042584, 2-iodo-4-fluoro-aniline, 4-fluoro-2-iodobenzenamine, SCHEMBL187936, SCHEMBL27852022, BDBM626224, 4-Fluoro-2-iodoaniline, AldrichCPR, SBB098705, STK513454, AKOS000111237, AB01932, AC-3680, CS-W004776, PS-7633, DB-005352, A8502, F0706, ST51041985

Application

4-Fluoro-2-iodoaniline serves as a key building block in Suzuki-Miyaura and Ullmann-type coupling reactions for creating fluorinated biphenyl scaffolds. Researchers utilize it in the synthesis of tyrosine kinase inhibitors and PET radiotracer precursors due to the iodine’s leaving group potential. Its electron-deficient aromatic ring also facilitates nucleophilic substitution in heterocyclic chemistry.

Safety and Hazards

GHS Hazard Statements

• H301+H311+H331 (78%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
• H301 (84%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (14%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (82%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H312 (14%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (18%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (18%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H331 (82%): Toxic if inhaled [Danger Acute toxicity, inhalation]
• H332 (14%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (14%): 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 (84%)
• Acute Tox. 4 (14%)
• Acute Tox. 3 (82%)
• Acute Tox. 4 (14%)
• Skin Irrit. 2 (18%)
• Eye Irrit. 2A (18%)
• Acute Tox. 3 (82%)
• Acute Tox. 4 (14%)
• STOT SE 3 (14%)

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