Lot numbers can be found on the outside label of a product:
3-Bromo-5-fluorophenol
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CAS No. 433939-27-6
- Cat. No. CS-W003437
- Purity≥98%
- MDL No.MFCD07783710
*For research and further manufacturing use only, not for direct human use.
Structure of 433939-27-6
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General Information
- CAS No. 433939-27-6
- Cat. No. CS-W003437
- Purity ≥98%
- MDL No. MFCD07783710
- Storage RT, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₄BrFO
- Molecular Weight 191.00
- Synonym(s) 5-BROMO-3-FLUOROPHENOL
- SMILES Oc1cc(F)cc(c1)Br
Description
3-Bromo-5-fluorophenol features a phenolic hydroxyl group flanked by bromo and fluoro substituents at meta positions, enabling selective coupling reactions in medicinal chemistry. This electron-deficient aromatic scaffold supports efficient transition-metal-catalyzed transformations and serves as a key building block for bioactive heterocycles and functionalized aryl ethers under standard conditions.
Application
3-Bromo-5-fluorophenol serves as a valuable building block in medicinal chemistry and agrochemical synthesis, enabling direct functionalization at the ortho-position relative to hydroxyl. Its bromine and fluorine substituents provide orthogonal reactivity for palladium-catalyzed cross-coupling and electrophilic substitution, respectively. The compound exhibits excellent bench stability, facilitates straightforward purification via recrystallization, and functions reliably in Suzuki-Miyaura, Stille, and Sonogashira reactions.
Synthesis
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Route1
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461-96-1 - ~91%
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In-stock
433939-27-6
References
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WO2007/62308 A2, ; Page/Page column 220-221 ;
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Route2
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130722-44-0 - ~90%
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In-stock
433939-27-6
References
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US2004/19033 A1, ; Page/Page column 32 ;
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Route3
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In-stock
29578-39-0 - ~89%
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In-stock
433939-27-6
References
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US2008/261941 A1, ; Page/Page column 43 ;
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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-P330-P362+P364-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 20.23
- LogP 2.2938
- H_Acceptors 1
- H_Donors 1
- Rotatable_Bonds 0
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Key Words
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