3-(4-Fluorophenyl)-3-oxopropanenitrile

Name: 3-(4-Fluorophenyl)-3-oxopropanenitrile
Brand: ChemScene
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CAS No. 4640-67-9
Cat. No. CS-B0665
Purity≥95%
MDL No.MFCD00662062

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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3-(4-Fluorophenyl)-3-oxopropanenitrile|CS-B0665

Structure of 4640-67-9

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Description

3-(4-Fluorophenyl)-3-oxopropanenitrile features a conjugated enone nitrile system linked to a fluorinated aromatic ring, enabling efficient integration into heterocyclic syntheses. This bench-stable reagent facilitates the construction of bioactive scaffolds under mild conditions, combining high reactivity with predictable regiochemistry.

Application

3-(4-Fluorophenyl)-3-oxopropanenitrile serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted heterocycles and functionalized aromatic systems. Its conjugated enone-nitrile motif exhibits high reactivity in nucleophilic additions and cycloaddition processes, with demonstrated compatibility in multistep syntheses. The molecule offers bench stability, straightforward purification, and tolerance to diverse functional groups, making it well-suited for medicinal chemistry and process development workflows.

General Information

CAS No. 4640-67-9
Cat. No. CS-B0665
Purity ≥95%
MDL No. MFCD00662062
Storage -20°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₆FNO
Molecular Weight 163.15
Synonym(s) 4-Fluorobenzoylacetonitrile
SMILES N#CCC(C1=CC=C(F)C=C1)=O

Computational Chemistry Data

TPSA 40.86
LogP 1.92208
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 2

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-(4-Fluorophenyl)-3-oxopropanenitrile

CAS No. 4640-67-9

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