1-Bromo-2,3-difluoro-4-nitrobenzene

Name: 1-Bromo-2,3-difluoro-4-nitrobenzene
Brand: ChemScene
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CAS No. 1003708-24-4
Cat. No. CS-W021488
Purity≥98%
MDL No.MFCD09839215

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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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1-Bromo-2,3-difluoro-4-nitrobenzene|CS-W021488

Structure of 1003708-24-4

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General Information

CAS No. 1003708-24-4
Cat. No. CS-W021488
Purity ≥98%
MDL No. MFCD09839215
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₂BrF₂NO₂
Molecular Weight 237.99
Synonym(s) 2,3-Difluoro-4-bromonitrobenzene
SMILES O=[N+](C1=CC=C(Br)C(F)=C1F)[O-]

Description

1-Bromo-2,3-difluoro-4-nitrobenzene features a highly reactive aryl halide scaffold flanked by electron-withdrawing fluorine and nitro groups, enabling efficient coupling under palladium catalysis. The strategic placement of substituents enhances regioselectivity in cross-coupling processes, delivering complex fluorinated aromatics with precision. This bench-stable reagent integrates seamlessly into synthetic sequences requiring ortho-functionalized intermediates.

Application

1-Bromo-2,3-difluoro-4-nitrobenzene serves as a versatile building block in medicinal chemistry and materials science, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal halogen reactivity. The nitro group facilitates electrophilic substitution and subsequent reduction, while the difluoro substitution enhances metabolic stability and modulates electronic properties. Its bench-stable nature and compatibility with diverse functional groups make it ideal for iterative synthesis of complex heterocycles 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 43.14
LogP 2.6355
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

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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1-Bromo-2,3-difluoro-4-nitrobenzene

CAS No. 1003708-24-4

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