2-Amino-4-fluorobenzonitrile

Name: 2-Amino-4-fluorobenzonitrile
Brand: ChemScene
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CAS No. 80517-22-2
Cat. No. CS-W019217
Purity≥98%
MDL No.MFCD09955451

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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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Structure of 80517-22-2

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Description

2-Amino-4-fluorobenzonitrile features a strategically positioned amino group and fluorine substituent that enhance electronic modulation and metabolic stability. This electron-rich scaffold integrates readily into pharmaceutical intermediates, offering high reactivity under standard coupling conditions. The nitrile moiety enables further diversification through nucleophilic transformations.

Application

2-Amino-4-fluorobenzonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted benzimidazoles and other heterocyclic scaffolds via cyclization reactions. Its ortho-amino and fluorinated aryl functionality provides excellent regiocontrol in coupling processes, while the nitrile group offers compatibility with nucleophilic additions and transition-metal-catalyzed transformations. Bench-stable and readily purified by recrystallization, it functions effectively in multi-step syntheses requiring functional group tolerance and predictable reactivity.

General Information

CAS No. 80517-22-2
Cat. No. CS-W019217
Purity ≥98%
MDL No. MFCD09955451
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅FN₂
Molecular Weight 136.13
Synonym(s) 4-Fluoroanthranilonitrile
SMILES NC1=C(C#N)C=CC(=C1)F

Computational Chemistry Data

TPSA 49.81
LogP 1.27958
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

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+H312+H332-H315-H319-H335
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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Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Amino-4-fluorobenzonitrile

CAS No. 80517-22-2

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