4-bromo-2-chloronicotinonitrile

Name: 4-bromo-2-chloronicotinonitrile
Brand: ChemScene
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CAS No. 1807017-39-5
Cat. No. CS-0162975
Purity≥98%
MDL No.MFCD27937928

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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4-bromo-2-chloronicotinonitrile|CS-0162975

Structure of 1807017-39-5

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General Information

CAS No. 1807017-39-5
Cat. No. CS-0162975
Purity ≥98%
MDL No. MFCD27937928
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₂BrClN₂
Molecular Weight None
Synonym(s) None
SMILES N#CC1=C(Cl)N=CC=C1Br

Description

4-Bromo-2-chloronicotinonitrile features a trifunctional pyridine core bearing bromo, chloro, and nitrile groups at distinct positions, enabling selective functionalization in cross-coupling and heterocyclic synthesis. This electron-deficient scaffold facilitates efficient palladium-catalyzed transformations under standard conditions, delivering complex intermediates with high regiocontrol.

Application

4-Bromo-2-chloronicotinonitrile serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its complementary halogenation pattern. The nitrile group provides a handle for downstream functionalization, while the ortho-chloro and meta-bromo substituents offer orthogonal reactivity for sequential transformations. This compound exhibits excellent bench stability and facilitates efficient synthesis of complex heterocyclic scaffolds found in pharmaceutical 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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P301+P310-P302+P352-P304+P341-P330-P363-P501

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Computational Chemistry Data

TPSA 36.68
LogP 2.36918
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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4-bromo-2-chloronicotinonitrile

CAS No. 1807017-39-5

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