1-(2-Fluoro-5-nitrophenyl)ethanone

Name: 1-(2-Fluoro-5-nitrophenyl)ethanone
Brand: ChemScene
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CAS No. 79110-05-7
Cat. No. CS-D1637
Purity≥98%
MDL No.MFCD00277867

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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1-(2-Fluoro-5-nitrophenyl)ethanone|CS-D1637

Structure of 79110-05-7

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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.

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

Computational Chemistry Data

TPSA 60.21
LogP 1.9365
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-(2-Fluoro-5-nitrophenyl)ethanone

CAS No. 79110-05-7

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