2-Fluoro-4-formylbenzonitrile

Name: 2-Fluoro-4-formylbenzonitrile
Brand: ChemScene
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CAS No. 101048-76-4
Cat. No. CS-0034821
Purity≥98%
MDL No.MFCD06738989

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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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2-Fluoro-4-formylbenzonitrile|CS-0034821

Structure of 101048-76-4

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Description

2-Fluoro-4-formylbenzonitrile features a trifunctional aromatic core combining electron-withdrawing fluorine, formyl, and nitrile groups. This arrangement enables direct incorporation into diverse synthetic scaffolds, particularly in medicinal chemistry and materials science. The molecule exhibits enhanced reactivity at the formyl position while maintaining stability under standard handling conditions.

Application

2-Fluoro-4-formylbenzonitrile serves as a versatile building block in medicinal chemistry, enabling direct incorporation of fluorinated aromatic motifs into target molecules. The formyl and nitrile groups offer orthogonal reactivity for downstream transformations—such as reductive amination, nucleophilic addition, or heterocycle formation—while the fluorine substituent enhances metabolic stability and modulates electronic properties. Bench-stable and compatible with standard purification methods, it facilitates efficient synthesis of complex scaffolds in API development workflows.

General Information

CAS No. 101048-76-4
Cat. No. CS-0034821
Purity ≥98%
MDL No. MFCD06738989
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₄FNO
Molecular Weight 149.12
Synonym(s) 4-Cyano-3-fluorobenzaldehyde
SMILES N#CC1=CC=C(C=O)C=C1F

Computational Chemistry Data

TPSA 40.86
LogP 1.50988
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Safety Information

Download SDS

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

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Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Functional Group Aldehyde

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Fluoro-4-formylbenzonitrile

CAS No. 101048-76-4

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