2-Bromo-1-fluoro-4-nitrobenzene

Name: 2-Bromo-1-fluoro-4-nitrobenzene
Brand: ChemScene
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CAS No. 701-45-1
Cat. No. CS-W007651
Purity≥98%
MDL No.MFCD00055433

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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-Bromo-1-fluoro-4-nitrobenzene|CS-W007651

Structure of 701-45-1

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Description

2-Bromo-1-fluoro-4-nitrobenzene features a trifunctional aryl scaffold enabling precise C–C and C–heteroatom couplings. The electron-deficient ring enhances reactivity in palladium-catalyzed cross-coupling, while the fluorine and bromine sites offer orthogonal functionalization potential. This bench-stable compound facilitates efficient synthesis of complex heterocycles and bioactive intermediates under standard conditions.

Application

2-Bromo-1-fluoro-4-nitrobenzene serves as a versatile dihalogenated aromatic building block for palladium-catalyzed cross-coupling reactions. The ortho-bromo and fluoro substituents enable sequential functionalization via selective substitution, while the nitro group provides a handle for reduction and downstream heterocycle formation. Its bench-stable nature and compatibility with standard coupling protocols make it ideal for constructing complex pharmaceutical scaffolds and functionalized arenes in medicinal chemistry workflows.

General Information

CAS No. 701-45-1
Cat. No. CS-W007651
Purity ≥98%
MDL No. MFCD00055433
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₃BrFNO₂
Molecular Weight 220.00
Synonym(s) 3-Bromo-4-fluoronitrobenzene
SMILES FC1=CC=C([N+]([O-])=O)C=C1Br

Computational Chemistry Data

TPSA 43.14
LogP 2.4964
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-H412
Precautionary Statements : P264-P270-P273-P330-P501

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Other Classifications

Building Blocks Functional Group Nitro compounds

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Bromo-1-fluoro-4-nitrobenzene

CAS No. 701-45-1

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