Lot numbers can be found on the outside label of a product:
2-Chloro-4-iodophenol
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CAS No. 116130-33-7
- Cat. No. CS-W006410
- Purity≥95%
- MDL No.MFCD11110536
*For research and further manufacturing use only, not for direct human use.
Structure of 116130-33-7
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General Information
- CAS No. 116130-33-7
- Cat. No. CS-W006410
- Purity ≥95%
- MDL No. MFCD11110536
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₄ClIO
- Molecular Weight 254.45
- Synonym(s) 4-iodo-2-chlolophenol
- SMILES OC1=CC=C(I)C=C1Cl
Description
2-Chloro-4-iodophenol features a phenolic hydroxyl group flanked by chlorine and iodine substituents, enabling selective coupling reactions in medicinal chemistry. The electron-withdrawing halogens enhance reactivity in palladium-catalyzed cross-couplings while maintaining stability under standard conditions. This scaffold serves as a key building block for bioactive molecule synthesis.
Application
2-Chloro-4-iodophenol serves as a valuable building block in the synthesis of functionalized aromatic scaffolds, enabling direct coupling reactions via its orthogonal halogenation pattern. The chloro group facilitates palladium-catalyzed cross-coupling, while the iodo substituent offers high reactivity in Suzuki, Stille, and Negishi transformations. Its bench-stable crystalline form simplifies handling and purification, making it well-suited for iterative medicinal chemistry campaigns and API intermediate development.
Synthesis
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Route1
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540-38-5 - ~89%
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In-stock
116130-33-7
References
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PRESIDENT AND FELLOWS OF HARVARD COLLEGE; RITTER, Tobias; FURUYA, Takeru; TANG, Pingping Patent: WO2010/59943 A2, 2010 ; Location in patent: Page/Page column 77; 78 ;
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Route2
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95-57-8
- ~99%
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In-stock
116130-33-7
References
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Xu, Guozhang; Hartman, Tracy L.; Wargo, Heather; Turpin, Jim A.; Buckheit Jr., Robert W.; Cushman, Mark Bioorganic and Medicinal Chemistry, 2002 , vol. 10, # 2 p. 283 - 290
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Route3
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3964-52-1 - ~53%
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In-stock
116130-33-7
References
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Butini, Stefania; Gemma, Sandra; Brindisi, Margherita; Borrelli, Giuseppe; Lossani, Andrea; Ponte, Anna Maria; Torti, Andrea; Maga, Giovanni; Marinelli, Luciana; La Pietra, Valeria; Fiorini, Isabella; Lamponi, Stefania; Campiani, Giuseppe; Zisterer, Daniela M.; Nathwani, Seema-Maria; Sartini, Stefania; La Motta, Concettina; Da Settimo, Federico; Novellino, Ettore; Focher, Federico Journal of Medicinal Chemistry, 2011 , vol. 54, # 5 p. 1401 - 1420
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 20.23
- LogP 2.6502
- H_Acceptors 1
- H_Donors 1
- Rotatable_Bonds 0
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Key Words
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