2-Chloro-4-iodopyrimidine

Name: 2-Chloro-4-iodopyrimidine
Brand: ChemScene
Availability: InStock
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CAS No. 395082-55-0
Cat. No. CS-W020471
Purity≥96%
MDL No.MFCD18415735

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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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General Information

CAS No. 395082-55-0
Cat. No. CS-W020471
Purity ≥96%
MDL No. MFCD18415735
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₄H₂ClIN₂
Molecular Weight None
Synonym(s) None
SMILES ClC1=NC=CC(I)=N1

Description

2-Chloro-4-iodopyrimidine is a halogenated pyrimidine derivative featuring complementary reactive sites for cross-coupling and functionalization. The chlorine at C2 enables palladium-catalyzed substitutions, while the iodine at C4 offers high reactivity in Suzuki-Miyaura and Negishi couplings. This dual-halogenation pattern facilitates precise molecular diversification in medicinal chemistry and materials synthesis.

Application

2-Chloro-4-iodopyrimidine serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its complementary halogen reactivity. The chlorine and iodine substituents allow sequential functionalization under orthogonal conditions, facilitating the synthesis of substituted pyrimidines with high regiocontrol. Its bench stability and compatibility with standard coupling protocols make it well-suited for modular library construction and API intermediate development.

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 25.78
LogP 1.7346
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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2-Chloro-4-iodopyrimidine

CAS No. 395082-55-0

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