3-Bromo-4-chloro-5-nitropyridine

Name: 3-Bromo-4-chloro-5-nitropyridine
Brand: ChemScene
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CAS No. 31872-63-6
Cat. No. CS-M0497
Purity≥97%
MDL No.MFCD07368836

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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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3-Bromo-4-chloro-5-nitropyridine|CS-M0497

Structure of 31872-63-6

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General Information

CAS No. 31872-63-6
Cat. No. CS-M0497
Purity ≥97%
MDL No. MFCD07368836
Storage -20°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₂BrClN₂O₂
Molecular Weight 237.44
Synonym(s) pyridine, 3-bromo-4-chloro-5-nitro-
SMILES ClC1=C([N+]([O-])=O)C=NC=C1Br

Description

3-Bromo-4-chloro-5-nitropyridine features a highly functionalized pyridine core with bromo, chloro, and nitro groups positioned for orthogonal reactivity. This electron-deficient heterocycle enables selective cross-coupling and nucleophilic substitution under mild conditions. The compound serves as a key intermediate in the synthesis of advanced pharmaceuticals and agrochemicals.

Application

3-Bromo-4-chloro-5-nitropyridine serves as a versatile building block for the synthesis of functionalized pyridine derivatives. Its orthogonal halogenation pattern enables sequential cross-coupling reactions, facilitating the construction of complex heterocyclic scaffolds. The nitro group provides a handle for reduction and subsequent derivatization, while the molecule exhibits good bench stability and compatibility with standard palladium-catalyzed transformations.

Safety Information

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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 56.03
LogP 2.4057
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Nitro compounds

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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3-Bromo-4-chloro-5-nitropyridine

CAS No. 31872-63-6

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