5-Bromo-2,4,6-trichloropyrimidine

Name: 5-Bromo-2,4,6-trichloropyrimidine
Brand: ChemScene
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CAS No. 63931-21-5
Cat. No. CS-0045885
Molecule weight262.32
Purity≥97%
MDL No.MFCD11226676

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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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5-Bromo-2,4,6-trichloropyrimidine|CS-0045885

Structure of 63931-21-5

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General Information

CAS No. 63931-21-5
Cat. No. CS-0045885
Purity ≥97%
MDL No. MFCD11226676
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₄BrCl₃N₂
Molecular Weight 262.32
Synonym(s) None
SMILES ClC1=C(Br)C(Cl)=NC(Cl)=N1

Description

5-Bromo-2,4,6-trichloropyrimidine features a highly electron-deficient pyrimidine core bearing three chlorine atoms and a bromine at the 5-position, enabling efficient coupling in cross-coupling reactions. This sterically accessible scaffold integrates readily into pharmaceutical intermediates and functional materials under standard conditions.

Application

5-Bromo-2,4,6-trichloropyrimidine serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyrimidines via palladium-catalyzed cross-coupling reactions. Its three chlorine atoms at C2, C4, and C6 provide orthogonal reactivity for sequential functionalization, while the C5 bromo group facilitates further diversification. The compound exhibits excellent bench stability and compatibility with standard reaction conditions, making it well-suited for medicinal chemistry and process-scale applications.

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-H320-H335
Precautionary Statements : P261-P280-P302+P352

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Computational Chemistry Data

TPSA 25.78
LogP 3.1993
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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5-Bromo-2,4,6-trichloropyrimidine

CAS No. 63931-21-5

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