2-Amino-3-bromo-4-fluorobenzonitrile

Name: 2-Amino-3-bromo-4-fluorobenzonitrile
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CAS No. 1093951-76-8
Cat. No. CS-0102022
Purity≥95%
MDL No.MFCD18071063

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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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-3-bromo-4-fluorobenzonitrile|CS-0102022

Structure of 1093951-76-8

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General Information

CAS No. 1093951-76-8
Cat. No. CS-0102022
Purity ≥95%
MDL No. MFCD18071063
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄BrFN₂
Molecular Weight 215.02
Synonym(s) 4-Fluoro-3-BroMoanthranilonitrile
SMILES N#CC1=CC=C(F)C(Br)=C1N

Description

2-Amino-3-bromo-4-fluorobenzonitrile features a strategically positioned amino group flanked by bromo and fluoro substituents, enabling selective coupling reactions. The nitrile moiety provides a robust handle for downstream functionalization. This electron-deficient aromatic scaffold offers enhanced reactivity in transition metal-catalyzed transformations and exhibits favorable stability under standard bench conditions.

Application

2-Amino-3-bromo-4-fluorobenzonitrile serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal halogen reactivity. The amino and nitrile groups provide sites for derivatization, while the bromo and fluoro substituents offer complementary functionalization handles. Its bench-stable nature and compatibility with standard synthetic workflows facilitate efficient access to complex heterocyclic scaffolds and API intermediates.

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-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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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-3-bromo-4-fluorobenzonitrile

CAS No. 1093951-76-8

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