6-Chloro-4-(trifluoromethyl)nicotinonitrile

Name: 6-Chloro-4-(trifluoromethyl)nicotinonitrile
Brand: ChemScene
Availability: InStock
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CAS No. 1201187-18-9
Cat. No. CS-0043052
Purity≥97%
MDL No.MFCD15528775

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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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6-Chloro-4-(trifluoromethyl)nicotinonitrile|CS-0043052

Structure of 1201187-18-9

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General Information

CAS No. 1201187-18-9
Cat. No. CS-0043052
Purity ≥97%
MDL No. MFCD15528775
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₂ClF₃N₂
Molecular Weight None
Synonym(s) 6-CHLORO-4-(TRIFLUOROMETHYL)PYRIDINE-3-CARBONITRILE
SMILES N#CC1=CN=C(Cl)C=C1C(F)(F)F

Description

6-Chloro-4-(trifluoromethyl)nicotinonitrile features a trifluoromethyl group and a nitrile moiety positioned ortho to a chlorine substituent on a pyridine ring, enabling selective functionalization in medicinal chemistry. The electron-deficient core supports efficient coupling reactions under mild conditions, offering high stability during synthesis and handling.

Application

6-Chloro-4-(trifluoromethyl)nicotinonitrile serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles via palladium-catalyzed cross-coupling reactions. Its trifluoromethyl and nitrile groups provide strong electron-withdrawing character, enhancing reactivity in nucleophilic substitution and facilitating downstream functionalization. The chloro substituent offers a reliable handle for further derivatization, while the molecule exhibits good bench stability and compatibility with standard synthetic protocols.

Synthesis

Route1
- 287922-66-1
- ~0%
- 896447-72-6
- In-stock
  
  1201187-18-9
References
- ASTRAZENECA AB Patent: WO2006/68618 A1, 2006 ; Location in patent: Page/Page column 36-37 ; WO 2006/068618 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

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Computational Chemistry Data

TPSA 36.68
LogP 2.62548
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

Key Words

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6-Chloro-4-(trifluoromethyl)nicotinonitrile

CAS No. 1201187-18-9

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