2-Chloro-6-methyl-4-(trifluoromethyl)nicotinonitrile

Name: 2-Chloro-6-methyl-4-(trifluoromethyl)nicotinonitrile
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 13600-48-1
Cat. No. CS-0169768
Purity≥97%
MDL No.None

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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-Chloro-6-methyl-4-(trifluoromethyl)nicotinonitrile|CS-0169768

Structure of 13600-48-1

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General Information

CAS No. 13600-48-1
Cat. No. CS-0169768
Purity ≥97%
MDL No. None
Storage 4°C, sealed storage, away from moisture and light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₄ClF₃N₂
Molecular Weight 220.58
Synonym(s) 2-chloro-6-methyl-4-trifluoromethyl-nicotinonitrile
SMILES N#CC1=C(Cl)N=C(C)C=C1C(F)(F)F

Description

2-Chloro-6-methyl-4-(trifluoromethyl)nicotinonitrile features a trifluoromethyl group that enhances electron-withdrawal and metabolic stability, while the chloro and methyl substituents fine-tune reactivity. This electron-deficient heterocycle serves as a key intermediate in agrochemical and pharmaceutical synthesis, offering robust performance under standard conditions.

Application

2-Chloro-6-methyl-4-(trifluoromethyl)nicotinonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to functionalized heterocyclic scaffolds. Its trifluoromethyl and nitrile groups provide strong electron-withdrawing character, facilitating nucleophilic substitution and transition-metal-catalyzed coupling reactions. The chloro and methyl substituents offer orthogonal reactivity for selective derivatization, while the compound exhibits good bench stability and ease of purification—ideal for modular synthesis workflows in API development.

Synthesis

Route1
- In-stock
  
  654-49-9
- ~92%
- In-stock
  
  13600-48-1
References
- CONSTELLATION PHARMACEUTICALS; ALBRECHT, Brian, K.; AUDIA, James, Edmund; COOK, Andrew; GAGNON, Alexandre; HARMANGE, Jean-christophe; NAVESCHUK, Christopher, G. Patent: WO2013/75083 A1, 2013 ; Location in patent: Paragraph 00402; 00404 ;
Route2
- 367-57-7
- ~%
- In-stock
  
  13600-48-1
References
- WO2013/75083 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 36.68
LogP 2.9339
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Drug Discovery Cancer Polθ

Key Words

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2-Chloro-6-methyl-4-(trifluoromethyl)nicotinonitrile

CAS No. 13600-48-1

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