Benzene, 1-bromo-3-chloro-5-nitro-

Name: Benzene, 1-bromo-3-chloro-5-nitro-
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CAS No. 219817-43-3
Cat. No. CS-0031441
Purity≥96%
MDL No.MFCD08275708

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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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Benzene, 1-bromo-3-chloro-5-nitro-|CS-0031441

Structure of 219817-43-3

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General Information

CAS No. 219817-43-3
Cat. No. CS-0031441
Purity ≥96%
MDL No. MFCD08275708
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₃BrClNO₂
Molecular Weight 236.45
Synonym(s) Benzene, 1-bromo-3-chloro-5-nitro-
SMILES BrC1=CC(Cl)=CC([N+]([O-])=O)=C1

Description

1-Bromo-3-chloro-5-nitrobenzene features a trifunctional aromatic core with distinct halogen and nitro groups enabling selective coupling and functionalization. The electron-deficient ring enhances reactivity in palladium-catalyzed cross-coupling, while the ortho-halogens offer sequential substitution control. Bench-stable and moisture-tolerant, this compound streamlines synthesis of complex heterocycles and advanced intermediates in pharmaceutical and materials chemistry.

Application

1-Bromo-3-chloro-5-nitrobenzene serves as a versatile di-functional aromatic building block for cross-coupling and nucleophilic substitution reactions. The bromo group enables palladium-catalyzed coupling with boronic acids or amines, while the chloro and nitro groups offer orthogonal reactivity for sequential functionalization. Its bench-stable crystalline form facilitates handling and purification, making it ideal for constructing complex heterocyclic scaffolds and pharmaceutical intermediates in multi-step syntheses.

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 3.0107
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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Benzene, 1-bromo-3-chloro-5-nitro-

CAS No. 219817-43-3

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