Lot numbers can be found on the outside label of a product:
1-(4-Bromo-2-fluorophenyl)ethanone
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CAS No. 625446-22-2
- Cat. No. CS-W004323
- Purity≥98%
- MDL No.MFCD03411551
*For research and further manufacturing use only, not for direct human use.
Structure of 625446-22-2
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General Information
- CAS No. 625446-22-2
- Cat. No. CS-W004323
- Purity ≥98%
- MDL No. MFCD03411551
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₆BrFO
- Molecular Weight 217.04
- Synonym(s) 1-(4-Bromo-2-fluorophenyl)ethan-1-one
- SMILES Brc1ccc(c(c1)F)C(=O)C
Description
1-(4-Bromo-2-fluorophenyl)ethanone features a brominated and fluorinated aromatic core paired with a reactive ketone group, enabling direct incorporation into Suzuki-Miyaura cross-coupling and electrophilic substitution workflows. This bench-stable building block delivers high functional group tolerance and compatibility with transition-metal catalysis under standard conditions.
Application
1-(4-Bromo-2-fluorophenyl)ethanone serves as a versatile building block in medicinal chemistry, enabling efficient construction of biaryl and heterocyclic scaffolds. Its bromo and fluoro substituents provide orthogonal functional handles for palladium-catalyzed cross-coupling reactions and directed ortho-metalation. The ketone group facilitates nucleophilic additions and acts as a key synthetic intermediate in the development of API candidates. Bench-stable and readily purified by crystallization, it supports scalable synthesis and integration into multi-step workflows.
Synthesis
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Route1
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353282-88-9 - ~83%
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In-stock
625446-22-2
References
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Wyeth Patent: US2008/45556 A1, 2008 ; Location in patent: Page/Page column 32 ;
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Route2
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75-16-1 -
801303-33-3 - ~97%
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In-stock
625446-22-2
References
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Takeda Pharmaceutical Company Limited Patent: EP2455380 A1, 2012 ; Location in patent: Page/Page column 69; 70 ;
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Route3
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625446-21-1
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75-16-1
- ~71%
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In-stock
625446-22-2
References
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Agouron Pharmaceuticals, Inc. Patent: US2005/176701 A1, 2005 ; Location in patent: Page/Page column 179 ; US 20050176701 A1
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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-H319
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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 17.07
- LogP 2.7908
- H_Acceptors 1
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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