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

Name: 5-Bromo-1-chloro-2-fluoro-3-nitrobenzene
Brand: ChemScene
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CAS No. 1435806-75-9
Cat. No. CS-0041412
Purity≥97%
MDL No.None

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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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5-Bromo-1-chloro-2-fluoro-3-nitrobenzene|CS-0041412

Structure of 1435806-75-9

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General Information

CAS No. 1435806-75-9
Cat. No. CS-0041412
Purity ≥97%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₂BrClFNO₂
Molecular Weight 254.44
Synonym(s) Benzoicacid,6-formyl-,methylester
SMILES O=[N+](C1=C(F)C(Cl)=CC(Br)=C1)[O-]

Description

5-Bromo-1-chloro-2-fluoro-3-nitrobenzene is a highly functionalized aromatic halide featuring orthogonal reactivity across bromine, chlorine, and fluorine sites. The electron-deficient ring, enhanced by the para-nitro group, supports selective cross-coupling and nucleophilic substitution under mild conditions. This bench-stable compound serves as a key intermediate in the synthesis of complex pharmaceuticals and advanced materials.

Application

5-Bromo-1-chloro-2-fluoro-3-nitrobenzene serves as a versatile building block in medicinal chemistry and materials science, enabling selective cross-coupling reactions via its halogenated sites. The ortho-fluoro and nitro groups facilitate directed metallation and functional group interconversions, while the bromo and chloro substituents provide complementary reactivity for Pd-catalyzed coupling protocols. Its bench-stable crystalline form simplifies handling and purification, making it well-suited for multi-step 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 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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5-Bromo-1-chloro-2-fluoro-3-nitrobenzene

CAS No. 1435806-75-9

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