2-Bromo-3-formylbenzonitrile

Name: 2-Bromo-3-formylbenzonitrile
Brand: ChemScene
Availability: InStock
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CAS No. 446864-55-7
Cat. No. CS-0157246
Purity≥97%
MDL No.MFCD18206376

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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 446864-55-7

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Description

2-Bromo-3-formylbenzonitrile features a formyl group flanked by bromine and nitrile functionalities, enabling direct coupling in cross-coupling reactions. This electron-deficient aromatic scaffold integrates readily into complex molecular architectures under standard conditions.

Application

2-Bromo-3-formylbenzonitrile serves as a versatile building block in medicinal chemistry and heterocyclic synthesis, enabling efficient access to complex scaffolds via palladium-catalyzed couplings and cyclization reactions. The bromo and formyl groups offer orthogonal reactivity for sequential functionalization, while the nitrile group provides a handle for further derivatization. Its bench-stable nature and compatibility with standard reaction conditions facilitate reliable use in multi-step syntheses.

General Information

CAS No. 446864-55-7
Cat. No. CS-0157246
Purity ≥97%
MDL No. MFCD18206376
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₄BrNO
Molecular Weight 210.03
Synonym(s) None
SMILES C1=CC(=C(C(=C1)C=O)Br)C#N

Computational Chemistry Data

TPSA 40.86
LogP 2.13328
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

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

Quality Control

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Other Classifications

Building Blocks Functional Group Aldehyde

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Bromo-3-formylbenzonitrile

CAS No. 446864-55-7

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