2-Bromo-1,3-dichloro-5-nitrobenzene

Name: 2-Bromo-1,3-dichloro-5-nitrobenzene
Brand: ChemScene
Availability: InStock
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CAS No. 98137-94-1
Cat. No. CS-0227165
Purity≥97%
MDL No.MFCD09999662

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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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2-Bromo-1,3-dichloro-5-nitrobenzene|CS-0227165

Structure of 98137-94-1

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Description

2-Bromo-1,3-dichloro-5-nitrobenzene features a highly electron-deficient aromatic core stabilized by strong inductive effects from bromine, chlorine, and nitro substituents. This trifunctional scaffold enables selective cross-coupling reactions under mild conditions, serving as a key building block for advanced pharmaceutical intermediates and functionalized materials.

Application

2-Bromo-1,3-dichloro-5-nitrobenzene serves as a versatile building block in heterocyclic synthesis and medicinal chemistry, enabling direct functionalization at multiple positions due to its complementary halogen and nitro directing effects. The molecule exhibits good bench stability and facilitates cross-coupling reactions, particularly with palladium catalysts, while maintaining compatibility with common protecting groups. Its ortho-halogenated structure supports sequential transformations in the construction of complex aromatic scaffolds.

General Information

CAS No. 98137-94-1
Cat. No. CS-0227165
Purity ≥97%
MDL No. MFCD09999662
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₂BrCl₂NO₂
Molecular Weight 270.90
Synonym(s) Benzene,2-bromo-1,3-dichloro-5-nitro
SMILES O=[N+](C1=CC(Cl)=C(Br)C(Cl)=C1)[O-]

Computational Chemistry Data

TPSA 43.14
LogP 3.6641
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

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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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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2-Bromo-1,3-dichloro-5-nitrobenzene

CAS No. 98137-94-1

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