1-Bromo-5-chloro-3-fluoro-2-nitrobenzene

Name: 1-Bromo-5-chloro-3-fluoro-2-nitrobenzene
Brand: ChemScene
Availability: InStock
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CAS No. 1642542-05-9
Cat. No. CS-0146246
Purity≥98%
MDL No.MFCD28733973

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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-5-chloro-3-fluoro-2-nitrobenzene|CS-0146246

Structure of 1642542-05-9

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General Information

CAS No. 1642542-05-9
Cat. No. CS-0146246
Purity ≥98%
MDL No. MFCD28733973
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₂BrClFNO₂
Molecular Weight 254.44
Synonym(s) None
SMILES FC1=CC(Cl)=CC(Br)=C1[N+]([O-])=O

Description

1-Bromo-5-chloro-3-fluoro-2-nitrobenzene offers a trifunctional aryl scaffold with orthogonal reactivity, enabling sequential cross-coupling and nucleophilic substitution. The electron-deficient ring facilitates efficient palladium-catalyzed transformations, while the halogen array supports modular derivatization in medicinal chemistry and materials synthesis.

Application

1-Bromo-5-chloro-3-fluoro-2-nitrobenzene serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions due to its reactive aryl halide functionality. The presence of multiple electron-withdrawing substituents enhances electrophilicity for nucleophilic aromatic substitution, while the nitro group provides a handle for downstream reduction and functionalization. Bench-stable and compatible with standard purification methods, it facilitates efficient construction of complex heterocyclic scaffolds and multi-substituted aromatic systems in industrial R&D workflows.

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-P330-P362+P364-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-5-chloro-3-fluoro-2-nitrobenzene

CAS No. 1642542-05-9

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