3-Amino-4-bromobenzonitrile

Name: 3-Amino-4-bromobenzonitrile
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CAS No. 72635-78-0
Cat. No. CS-0042785
Purity≥95%
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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General Information

CAS No. 72635-78-0
Cat. No. CS-0042785
Purity ≥95%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅BrN₂
Molecular Weight 197.03
Synonym(s) 3-Amino-4-brom-benzonitril
SMILES N#CC1=CC=C(Br)C(N)=C1

Description

3-Amino-4-bromobenzonitrile features a bromine atom at the para position relative to the nitrile group, enabling direct functionalization in cross-coupling reactions. The electron-donating amino group enhances reactivity at the adjacent ring position, while the nitrile moiety provides a versatile handle for further derivatization. This compound serves as a key intermediate in the synthesis of pharmaceuticals and functional materials.

Application

3-Amino-4-bromobenzonitrile serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its compatible bromo and nitrile functionalities. The amino group facilitates further derivatization via acylation or diazotization, while the nitrile remains stable under standard reaction conditions. Its bench-stable solid form simplifies handling and purification, making it well-suited for multi-step synthesis of 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

Quality Control

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Computational Chemistry Data

TPSA 49.81
LogP 1.90298
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Other Classifications

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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3-Amino-4-bromobenzonitrile

CAS No. 72635-78-0

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