Lot numbers can be found on the outside label of a product:
1-Bromo-2-fluoro-4-(methylsulfonyl)benzene
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CAS No. 1032825-02-7
- Cat. No. CS-0043581
- Purity≥98%
- MDL No.MFCD11053812
*For research and further manufacturing use only, not for direct human use.
Structure of 1032825-02-7
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General Information
- CAS No. 1032825-02-7
- Cat. No. CS-0043581
- Purity ≥98%
- MDL No. MFCD11053812
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₆BrFO₂S
- Molecular Weight 253.09
- Synonym(s) None
- SMILES O=S(C1=CC=C(Br)C(F)=C1)(C)=O
Description
1-Bromo-2-fluoro-4-(methylsulfonyl)benzene features a trifunctional aryl scaffold combining bromine, fluorine, and a robust methylsulfonyl group. This configuration enables direct incorporation into cross-coupling reactions, offering high stability under standard conditions. The electron-withdrawing methylsulfonyl moiety enhances reactivity in palladium-catalyzed transformations while maintaining excellent bench stability and moisture tolerance.
Application
1-Bromo-2-fluoro-4-(methylsulfonyl)benzene serves as a versatile building block in cross-coupling chemistry, enabling efficient palladium-catalyzed transformations due to its orthogonal halogen reactivity. The bromo group facilitates coupling with boronic acids, while the fluorine and methylsulfonyl substituents provide enhanced stability and directed functionalization potential. This compound exhibits excellent bench stability and is well-suited for the synthesis of substituted biaryls and heterocyclic scaffolds in medicinal chemistry and materials science applications.
Synthesis
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Route1
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In-stock
832755-13-2 - ~81%
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In-stock
1032825-02-7
References
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SMITH KLINE BEECHAM CORPORATION a corporation Patent: US2010/29650 A1, 2010 ; Location in patent: Page/Page column 36 ;
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Route2
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917562-25-5 - ~87%
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In-stock
1032825-02-7
References
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F. HOFFMANN-LA ROCHE AG; FIROOZNIA, Fariborz; GILLESPIE, Paul; LIN, Tai-An; MERTZ, Eric; SIDDURI, Achyutharao; SO, Sung-Sau; TAN, Jenny; THAKKAR, Kshitij Chhabilbhai Patent: WO2010/55005 A1, 2010 ; Location in patent: Page/Page column 77 ; WO 2010/055005 A1
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Route3
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In-stock
367-24-8 - ~%
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In-stock
1032825-02-7
References
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WO2012/93809 A2, ; WO 2012/093809 A2
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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 34.14
- LogP 1.9917
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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