2-Amino-5-bromo-3-fluorobenzonitrile

Name: 2-Amino-5-bromo-3-fluorobenzonitrile
Brand: ChemScene
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CAS No. 1209498-46-3
Cat. No. CS-0456945
Purity≥96%
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+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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2-Amino-5-bromo-3-fluorobenzonitrile|CS-0456945

Structure of 1209498-46-3

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General Information

CAS No. 1209498-46-3
Cat. No. CS-0456945
Purity ≥96%
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) 2-AMINO-5-BROMO-3-FLUORO-BENZONITRILE
SMILES N#CC1=CC(Br)=CC(F)=C1N

Description

2-Amino-5-bromo-3-fluorobenzonitrile features a strategically positioned amino group and dual halogen substituents, enabling selective coupling in cross-coupling reactions. The electron-deficient aromatic core facilitates efficient Pd-catalyzed transformations, while the nitrile group provides a handle for downstream functionalization. This compound exhibits excellent bench stability under standard conditions, simplifying handling in synthetic workflows.

Application

2-Amino-5-bromo-3-fluorobenzonitrile serves as a versatile building block in the synthesis of functionalized heterocycles and pharmaceutical intermediates. Its ortho-directed substitution pattern enables selective derivatization, while the nitrile group provides a handle for downstream transformations. The molecule exhibits good bench stability and facilitates efficient coupling reactions, making it well-suited for medicinal chemistry campaigns requiring halogenated, amino-functionalized aromatic scaffolds.

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-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 49.81
LogP 2.04208
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

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-5-bromo-3-fluorobenzonitrile

CAS No. 1209498-46-3

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