Description

1,2,3-Trifluoro-4-iodobenzene (CAS No. 459424-72-7) is a high-purity halogenated aromatic compound with the molecular formula C₆H₂F₃I. This specialty chemical is designed for advanced research and industrial applications, featuring a trifluorinated benzene ring with an iodine substituent, making it a versatile building block for pharmaceuticals, agrochemicals, and materials science. Its unique structure enables selective functionalization in cross-coupling reactions, such as Suzuki-Miyaura or Ullmann couplings, to create complex fluorinated architectures. Packaged under inert conditions to ensure stability, our product undergoes rigorous QC testing (HPLC, GC, NMR) to guarantee ≥98% purity, meeting the stringent demands of synthetic chemists and R&D laboratories.

Properties

• CAS Number: 459424-72-7
• Complexity: 120
• IUPAC Name: 1,2,3-trifluoro-4-iodo-benzene
• InChI: InChI=1S/C6H2F3I/c7-3-1-2-4(10)6(9)5(3)8/h1-2H
• InChI Key: YDSUNVSIBZATIU-UHFFFAOYSA-N
• Exact Mass: 257.91533
• Molecular Formula: C6H2F3I
• Molecular Weight: 257.98
• SMILES: C1=CC(=C(C(=C1F)F)F)I
• Monoisotopic Mass: 257.91533
• Synonyms: 1,2,3-trifluoro-4-iodobenzene, DTXSID40963468, DTXCID001391218, 2,3,4-Trifluoroiodobenzene, 459424-72-7, 1-iodo-2,3,4-trifluorobenzene, MFCD03788551, Benzene, trifluoroiodo-, 4-Iodo-1,2,3-trifluorobenzene, SCHEMBL80987, 2,3,4-trifluoro-1-iodobenzene, YDSUNVSIBZATIU-UHFFFAOYSA-N, SBB101938, AKOS007930914, DS-18337, SY041536, DB-328708, CS-0134651, EN300-646059

1,2,3-Trifluoro-4-iodobenzene serves as a key intermediate in the synthesis of fluorinated liquid crystals and OLED materials due to its electron-withdrawing properties. It is widely used in pharmaceutical research to develop bioactive molecules via palladium-catalyzed coupling reactions. The compound also finds utility in agrochemical production for creating herbicidal and fungicidal derivatives with enhanced stability.

Safety and Hazards

GHS Hazard Statements

• H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (33.3%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• 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.