Description

4-Chloro-2-iodophenol (CAS No. 71643-66-8) is a halogenated phenolic compound with the molecular formula C₆H₄ClIO. This high-purity reagent is ideal for synthetic organic chemistry applications, particularly in the construction of complex molecules via cross-coupling reactions, halogen exchange processes, or as a versatile intermediate in pharmaceutical and agrochemical research. The compound features both chloro and iodo substituents on the phenol ring, offering unique reactivity for selective functionalization. Provided as a crystalline solid with guaranteed purity (>97% by HPLC), it is packaged under inert conditions to ensure stability. Suitable for use in Suzuki-Miyaura, Buchwald-Hartwig, and other palladium-catalyzed transformations.

Properties

• CAS Number: 71643-66-8
• Complexity: 99.1
• IUPAC Name: 4-chloro-2-iodo-phenol
• InChI: InChI=1S/C6H4ClIO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
• InChI Key: JKPLMQJLGBBFLO-UHFFFAOYSA-N
• Exact Mass: 253.89954
• Molecular Formula: C6H4ClIO
• Molecular Weight: 254.45
• SMILES: C1=CC(=C(C=C1Cl)I)O
• Topological: 20.2
• Monoisotopic Mass: 253.89954
• Synonyms: 4-Chloro-2-iodophenol, 71643-66-8, DTXSID70347333, DTXCID00298405, 615-320-1, 691-996-1, jkplmqjlgbbflo-uhfffaoysa-n, 4-Chloro-2-iodo-phenol, 2-iodo-4-chlorophenol, MFCD08235248, Phenol, 4-chloro-2-iodo-, 4-chloro-2-iodo phenol, SCHEMBL177303, BCP08792, SBB054173, AKOS015890624, CS-W005504, FC11263, MB05977, PS-7424, AC-26935, SY040773, DB-038176, C3172

Application

4-Chloro-2-iodophenol serves as a key building block in medicinal chemistry for the synthesis of bioactive molecules, particularly in kinase inhibitor development. Its halogenated structure enables efficient participation in Sonogashira couplings and Ullmann reactions for aryl ether formation. Researchers also utilize it in material science to create functionalized polymers with tailored optoelectronic properties. The compound’s orthogonal reactivity (Cl vs. I) allows sequential derivatization in multistep syntheses.

Safety and Hazards

GHS Hazard Statements

• Not Classified
• Reported as not meeting GHS hazard criteria by 11 of 11 companies. For more detailed information, please visit ECHA C&L website.

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 (50%)
• Acute Tox. 4 (50%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (50%)
• STOT SE 3 (50%)

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