2,4,6-Trichloro-5-cyanopyrimidine

Name: 2,4,6-Trichloro-5-cyanopyrimidine
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 3029-64-9
Cat. No. CS-W003410
Purity≥97%
MDL No.MFCD07636745

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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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2,4,6-Trichloro-5-cyanopyrimidine|CS-W003410

Structure of 3029-64-9

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General Information

CAS No. 3029-64-9
Cat. No. CS-W003410
Purity ≥97%
MDL No. MFCD07636745
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅Cl₃N₃
Molecular Weight 208.43
Synonym(s) trichloropyrimidine-5-carbonitrile
SMILES N#Cc1c(Cl)nc(nc1Cl)Cl

Description

2,4,6-Trichloro-5-cyanopyrimidine features a highly electron-deficient pyrimidine core with three chloro groups and a cyano substituent, enabling efficient coupling in nucleophilic substitution reactions. This reactivity profile supports direct functionalization of heterocycles under mild conditions. The compound exhibits robust stability during storage and handling, making it well-suited for synthetic applications requiring precise regiocontrol.

Application

2,4,6-Trichloro-5-cyanopyrimidine serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyrimidines via nucleophilic aromatic substitution. Its three chlorine atoms exhibit high reactivity toward diverse nucleophiles, while the cyano group provides a handle for further functionalization. The compound demonstrates excellent bench stability and facilitates straightforward purification, making it well-suited for iterative synthetic workflows in medicinal chemistry and agrochemical development.

Synthesis

Route1
- 857200-56-7
- ~%
- In-stock
  
  3029-64-9
References
- US4092150 A1, ;

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 49.57
LogP 2.30848
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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2,4,6-Trichloro-5-cyanopyrimidine

CAS No. 3029-64-9

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