1-Bromo-2-chloro-5-fluoro-4-nitrobenzene

Name: 1-Bromo-2-chloro-5-fluoro-4-nitrobenzene
Brand: ChemScene
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CAS No. 1027833-17-5
Cat. No. CS-W018742
Purity≥98%
MDL No.MFCD11110551

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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+
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1-Bromo-2-chloro-5-fluoro-4-nitrobenzene|CS-W018742

Structure of 1027833-17-5

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General Information

CAS No. 1027833-17-5
Cat. No. CS-W018742
Purity ≥98%
MDL No. MFCD11110551
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₂BrClFNO₂
Molecular Weight 254.44
Synonym(s) 4-Bromo-5-chloro-2-fluoronitrobenzene
SMILES O=[N+](C1=C(F)C=C(Br)C(Cl)=C1)[O-]

Description

1-Bromo-2-chloro-5-fluoro-4-nitrobenzene is a highly functionalized aryl halide featuring orthogonal reactivity at bromine, chlorine, and fluorine sites. The electron-deficient aromatic ring enhances compatibility with palladium-catalyzed cross-coupling reactions, while the nitro group provides a strong deactivating influence. This compound serves as a precise building block for complex heterocyclic scaffolds in medicinal chemistry and materials science.

Application

1-Bromo-2-chloro-5-fluoro-4-nitrobenzene serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling sequential cross-coupling reactions due to its orthogonal halogen reactivity. The bromo group facilitates palladium-catalyzed coupling, while the chloro and fluoro substituents offer stability and controlled reactivity. Its nitro group provides a handle for reduction and downstream functionalization, making it ideal for constructing complex heterocyclic scaffolds under standard bench conditions.

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 3.1498
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Chloride

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-chloro-5-fluoro-4-nitrobenzene

CAS No. 1027833-17-5

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