2,5,6-Trichloro-4-methylnicotinonitrile

Name: 2,5,6-Trichloro-4-methylnicotinonitrile
Brand: ChemScene
Availability: InStock
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CAS No. 63195-39-1
Cat. No. CS-W006040
Purity≥95%
MDL No.MFCD09754021

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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+
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2,5,6-Trichloro-4-methylnicotinonitrile|CS-W006040

Structure of 63195-39-1

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General Information

CAS No. 63195-39-1
Cat. No. CS-W006040
Purity ≥95%
MDL No. MFCD09754021
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃Cl₃N₂
Molecular Weight 221.47
Synonym(s) 3-Cyano-2,5,6-trichlor-4-methylpyridin
SMILES ClC1=NC(=C(C(=C1C#N)C)Cl)Cl

Description

2,5,6-Trichloro-4-methylnicotinonitrile features a densely chlorinated pyridine core with a methyl group at C4 and a nitrile at C3, delivering high electron deficiency for use in cross-coupling reactions. The molecule exhibits bench-stable handling and compatibility with palladium-catalyzed transformations.

Application

2,5,6-Trichloro-4-methylnicotinonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient construction of heterocyclic scaffolds through nucleophilic substitution and transition-metal-catalyzed coupling reactions. Its electron-deficient pyridine core exhibits enhanced reactivity toward amines and thiols, while the nitrile and methyl groups provide orthogonal functional handles for downstream derivatization. The compound demonstrates excellent bench stability and compatibility with standard purification techniques, facilitating scalable synthesis workflows.

Synthesis

Route1
- 139713-57-8
- ~70%
- In-stock
  
  63195-39-1
References
- Dyadyuchenko; Strelkov; Mikhailichenko; Zaplishny Chemistry of Heterocyclic Compounds, 2004 , vol. 40, # 3 p. 308 - 314
Route2
- 5444-02-0
- ~%
- In-stock
  
  63195-39-1
References
- Chemistry of Heterocyclic Compounds, , vol. 40, # 3 p. 308 - 314

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

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Computational Chemistry Data

TPSA 36.68
LogP 3.2219
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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2,5,6-Trichloro-4-methylnicotinonitrile

CAS No. 63195-39-1

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