2-Amino-4-bromo-3-fluorobenzonitrile

Name: 2-Amino-4-bromo-3-fluorobenzonitrile
Brand: ChemScene
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CAS No. 1820620-31-2
Cat. No. CS-0139708
Purity≥98%
MDL No.None

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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+
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2-Amino-4-bromo-3-fluorobenzonitrile|CS-0139708

Structure of 1820620-31-2

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Description

2-Amino-4-bromo-3-fluorobenzonitrile features a strategically positioned amino group flanked by bromo and fluoro substituents on a benzonitrile scaffold, enabling selective coupling reactions. This electron-deficient aromatic system facilitates efficient transition metal-catalyzed transformations, particularly in cross-coupling methodologies. The molecule exhibits bench-stable handling characteristics under standard conditions and integrates readily into complex heterocyclic architectures during synthetic sequence design.

Application

2-Amino-4-bromo-3-fluorobenzonitrile serves as a versatile building block in the synthesis of pharmaceutical intermediates and functionalized heterocycles. Its ortho-substituted aryl scaffold enables efficient palladium-catalyzed cross-coupling reactions, while the amino, bromo, fluoro, and nitrile groups offer multiple handles for sequential functionalization. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for scalable medicinal chemistry applications.

General Information

CAS No. 1820620-31-2
Cat. No. CS-0139708
Purity ≥98%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄BrFN₂
Molecular Weight 215.02
Synonym(s) 3-Bromo-6-cyano-2-fluoroaniline
SMILES N#CC1=CC=C(Br)C(F)=C1N

Computational Chemistry Data

TPSA 49.81
LogP 2.04208
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Safety Information

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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-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 Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Amino-4-bromo-3-fluorobenzonitrile

CAS No. 1820620-31-2

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