4-Amino-3-fluorobenzonitrile

Name: 4-Amino-3-fluorobenzonitrile
Brand: ChemScene
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CAS No. 63069-50-1
Cat. No. CS-W017763
Purity≥97%
MDL No.MFCD00055559

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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 63069-50-1

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Description

4-Amino-3-fluorobenzonitrile features a strategically positioned amino group flanked by fluorine and nitrile functionalities, enabling direct incorporation into pharmaceutical intermediates. This electron-deficient aryl scaffold supports diverse coupling reactions under standard conditions, offering high stability and predictable reactivity in synthetic workflows.

Application

4-Amino-3-fluorobenzonitrile serves as a versatile building block in medicinal chemistry, enabling the synthesis of fluorinated aromatic scaffolds via standard coupling reactions. Its amino and nitrile groups offer orthogonal reactivity for sequential functionalization, while the fluorine substituent enhances metabolic stability and modulates electronic properties. The compound exhibits good bench stability and is readily purified by crystallization, facilitating integration into multi-step synthetic sequences for API development.

General Information

CAS No. 63069-50-1
Cat. No. CS-W017763
Purity ≥97%
MDL No. MFCD00055559
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-Cyano-2-fluoroaniline
SMILES C1=C(C=CC(=C1F)N)C#N

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 : GHS06
Signal Word : Danger	UN#: 3439
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H312+H332-H315-H319-H331-H335
Precautionary Statements : P264-P270-P330-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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4-Amino-3-fluorobenzonitrile

CAS No. 63069-50-1

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