1-bromo-3,5-dinitro-Benzene

CAS No. 18242-39-2
Cat. No. CS-M0502
Purity≥98%
MDL No.MFCD00156596

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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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Description

1-Bromo-3,5-dinitrobenzene features two strongly electron-withdrawing nitro groups flanking a bromine substituent, creating a highly reactive site for nucleophilic aromatic substitution. This configuration enables efficient coupling with diverse amines and thiols under mild conditions, making it ideal for constructing complex heterocycles and functionalized scaffolds in medicinal chemistry and materials science.

Application

1-Bromo-3,5-dinitrobenzene serves as a valuable building block for nucleophilic aromatic substitution reactions, enabling the efficient introduction of diverse amines and thiols under mild conditions. The strong electron-withdrawing effect of the dinitro groups enhances reactivity at the bromine site, facilitating functionalization with high regioselectivity. Its bench-stable nature and compatibility with common reaction protocols make it well-suited for the synthesis of substituted heterocycles and advanced intermediates in medicinal chemistry and materials science.

General Information

CAS No. 18242-39-2
Cat. No. CS-M0502
Purity ≥98%
MDL No. MFCD00156596
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₃BrN₂O₄
Molecular Weight 247.00
Synonym(s) 1-Bromo-3,5-dinitrobenzene
SMILES BrC1=CC([N+]([O-])=O)=CC([N+]([O-])=O)=C1

Computational Chemistry Data

TPSA 86.28
LogP 2.2655
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 2

Safety Information

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GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301-H311-H315-H319-H332-H335
Precautionary Statements : P264-P270-P330-P405-P501

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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-bromo-3,5-dinitro-Benzene

CAS No. 18242-39-2

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