Lot numbers can be found on the outside label of a product:
1-(2-Fluoro-5-nitrophenyl)ethanone
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CAS No. 79110-05-7
- Cat. No. CS-D1637
- Purity≥98%
- MDL No.MFCD00277867
*For research and further manufacturing use only, not for direct human use.
Structure of 79110-05-7
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General Information
- CAS No. 79110-05-7
- Cat. No. CS-D1637
- Purity ≥98%
- MDL No. MFCD00277867
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₆FNO₃
- Molecular Weight None
- Synonym(s) (2-Fluoro-5-nitro-phenyl)ethanone; 2'-Fluoro-5'-nitroacetophenone; ethanone, 1-(2-fluoro-5-nitrophenyl)-
- SMILES CC(C1=CC([N+]([O-])=O)=CC=C1F)=O
Description
1-(2-Fluoro-5-nitrophenyl)ethanone features a fluorinated aromatic ring paired with a nitro group at the para position relative to the ketone, creating a strongly electron-deficient phenyl system. This combination enhances reactivity in nucleophilic aromatic substitution and facilitates coupling reactions under mild conditions. The molecule exhibits excellent stability and solubility in common organic solvents, enabling straightforward integration into synthetic sequences for pharmaceutical intermediates and advanced materials.
Application
1-(2-Fluoro-5-nitrophenyl)ethanone serves as a versatile building block in medicinal chemistry, enabling efficient construction of biologically relevant heterocycles. Its ortho-fluoro and para-nitro substituents provide orthogonal reactivity for palladium-catalyzed cross-couplings and selective reduction sequences. The ketone functionality facilitates nucleophilic additions and enolate chemistry, while the molecule exhibits sufficient bench stability for routine handling and purification.
Synthesis
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Route1
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In-stock
445-27-2 - ~99%
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In-stock
79110-05-7
References
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SCHERING CORPORATION; STAMFORD, Andrew, W.; CUMMING, Jared, N. Patent: WO2011/44184 A1, 2011 ; Location in patent: Page/Page column 99-100 ; WO 2011/044184 A1
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Route2
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In-stock
701-45-1 -
97674-02-7 - ~%
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In-stock
79110-05-7
References
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WO2005/35520 A1, ; Page/Page column 59-60 ;
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Route3
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709-46-6
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75-16-1
- ~83%
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In-stock
79110-05-7
References
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Fang, Yuan-Qing; Lautens, Mark Journal of Organic Chemistry, 2008 , vol. 73, # 2 p. 538 - 549
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Safety Information
Download SDS|
GHS Pictogram :
N/A
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GHS No : N/A
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Signal Word : N/A
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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 : N/A
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Precautionary Statements : N/A
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Quality Control
Computational Chemistry Data
- TPSA 60.21
- LogP 1.9365
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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