95727-86-9

Basic information

• Product Name: (5-TRIFLUOROMETHYL-PYRIDIN-2-YL)-ACETONITRILE
• Synonyms: (5-TRIFLUOROMETHYL-PYRIDIN-2-YL)-ACETONITRILE;2-(5-(TRIFLUOROMETHYL)PYRIDIN-2-YL)ACETONITRILE;2-Cyano-5-(trifluoromethyl)pyridine;2-Pyridinecarbonitrile, 5-(trifluoromethyl)-;5-(TrifluoroMethyl)-2-pyridinecarbonitrile;2-Cyano-5-(trifluoromethyl)pyridine, 5-(Trifluoromethyl)picolinonitrile
• CAS NO: 95727-86-9
• Molecular Formula: C₇H₃F₃N₂
• Molecular Weight: 172.11
• EINECS: 145-869-9
• Mol File: 95727-86-9.mol

Chemical Properties

• Boiling Point: 232.3°Cat760mmHg
• Flash Point: 94.3°C
• Appearance: /Solid
• Density: 1.37g/cm³
• Vapor Pressure: 0.0595mmHg at 25°C
• Refractive Index: 1.456
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: -2.75±0.10(Predicted)
• Water Solubility: Slightly soluble in water.
• CAS DataBase Reference: (5-TRIFLUOROMETHYL-PYRIDIN-2-YL)-ACETONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: (5-TRIFLUOROMETHYL-PYRIDIN-2-YL)-ACETONITRILE(95727-86-9)
• EPA Substance Registry System: (5-TRIFLUOROMETHYL-PYRIDIN-2-YL)-ACETONITRILE(95727-86-9)

Safety Data

• Hazard Codes: T,Xi
• RIDADR: UN3439
• HazardClass: 6.1
• Hazardous Substances Data: 95727-86-9(Hazardous Substances Data)

Usage

Uses

5-(Trifluoromethyl)picolinonitrile is a reactant in the synthesis of s-tetrazines.

InChI:InChI=1/C7H3F3N2/c8-7(9,10)5-1-2-6(3-11)12-4-5/h1-2,4H

Upstream product

• 544-92-3 copper(I) cyanide 
• 50488-42-1 2-bromo-5-(trifluoromethyl)pyridine 
• 52334-81-3 2-chloro-5-trifluoromethylpyridine 
• 557-21-1 dicyanozinc 
• 557-21-1 zinc(II) cyanide 
• 31224-82-5 5-(trifluoromethyl)pyridine-2-carbaldehyde 
• 3796-23-4 3-(trifluoromethyl)pyridine 
• 7677-24-9 trimethylsilyl cyanide 
• 100366-75-4 2‐iodo‐5‐(trifluoromethyl)pyridine 

Downstream Products

• 1428537-19-2 4-(tert-butyl)-2-(5-(trifluoromethyl)pyridin-2-yl)-4,5-dihydrooxazole 
• 1416819-91-4 (S)-4-(tert-butyl)-2-(5-(trifluoromethyl)pyridin-2-yl)-4,5-dihydrooxazole 
• 873325-02-1 2,3-dimethylphenyl-4-[(1S)-1-((1S,4S)-5-{[5-(trifluromethyl)pyridin-2-yl]carbonyl}-2,5-diazabicyclo[2.2.1]hept-2-yl)ethyl]phenol 
• 2097333-76-9 (3aR,8aS)-2-(5-(trifluoromethyl)pyridin-2-yl)-8,8a-dihydro-3aH-indeno[1,2-d]oxazole 
• 1339045-72-5 2-(5'-(5''-(4'''-methylpiperazin-1'''-yl)benzimidazol-2''-yl)benzimidazol-2'-yl)-5-(trifluoromethyl)pyridine 
• 164341-39-3 (5-(trifluoromethyl)pyridin-2-yl)methanamine 
• 175277-44-8 N’-hydroxy-S-(trifluoromethyl)picolinimidamide 
• 80194-69-0 5-(trifluoromethyl)picolinic acid 
• 248274-16-0 1-(5-(trifluoromethyl)pyridin-2-yl)ethan-1-one 

Relevant articles and documents

Late-stage Pd-catalyzed Cyanations of Aryl/Heteroaryl Halides in Aqueous Micellar Media

New technology is described that enables late stage ppm Pd-catalyzed cyanations of highly complex molecules, as well as a wide variety of aryl and heteroaryl halides possessing sensitive functional groups. These reactions are efficient in water containing nanomicelles, formed from a commercially available and inexpensive surfactant. The implications for advancing drug synthesis and discovery are apparent.

HCl·DMPU-assisted one-pot and metal-free conversion of aldehydes to nitriles

We report an efficient HCl·DMPU assisted one-pot conversion of aldehydes into nitriles. The use of HCl·DMPU as both an acidic source as well as a non-nucleophilic base constitutes an environmentally mild alternative for the preparation of nitriles. Our protocol proceeds smoothly without the use of toxic reagents and metal catalysts. Diverse functionalized aromatic, aliphatic and allylic aldehydes incorporating various functional groups were successfully converted to nitriles in excellent to quantitative yields. This protocol is characterized by a broad substrate scope, mild reaction conditions, and high scalability. This journal is

C?H Cyanation of 6-Ring N-Containing Heteroaromatics

Heteroaromatic nitriles are important compounds in drug discovery, both for their prevalence in the clinic and due to the diverse range of transformations they can undergo. As such, efficient and reliable methods to access them have the potential for far-reaching impact across synthetic chemistry and the biomedical sciences. Herein, we report an approach to heteroaromatic C?H cyanation through triflic anhydride activation, nucleophilic addition of cyanide, followed by elimination of trifluoromethanesulfinate to regenerate the cyanated heteroaromatic ring. This one-pot protocol is simple to perform, is applicable to a broad range of decorated 6-ring N-containing heterocycles, and has been shown to be suitable for late-stage functionalization of complex drug-like architectures.

SUBSTITUTED BENZANILIDE COMPOUND AND PEST CONTROL AGENT

The present invention is to provide a novel agrigultural chemical, particularly an insecticide or acaricide, and discloses a substituted benzanilide compound represented by the formula (1): wherein W1 and W2 each independently repres

ARYL-SUBSTITUTED PIPERAZINE DERIVATIVES

Aryl-substituted piperazine derivatives are provided. Such compounds may be used to modulate MCH receptor activity in vivo or in vitro, and are particularly useful in the treatment of a variety of metabolic, feeding and sexual disorders in humans, domesti

Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor

Compounds of formula (I) are novel VR1 antagonists that are useful in treating pain, inflammatory thermal hyperalgesia, urinary incontinence and bladder overactivity, wherein X1, X2, X3, X4, X5, R5, R6, R7, R8a, R8b, R9, Z1, Z2 and L are as defined in the description.

Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor

Compounds of formula (I) are novel VR1 antagonists that are useful in treating pain, inflammatory thermal hyperalgesia, urinary incontinence and bladder overactivity.

Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor

Compounds of formula (I) are novel VR1 antagonists that are useful in treating pain, inflammatory thermal hyperalgesia, urinary incontinence and bladder overactivity.

Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof

The present invention is directed to substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs thereof, represented by the Formula I: wherein Ar1, Ar3, A, B and D are defined herein. The present invention also relates to the discovery that compounds having Formula I are activators of caspases and inducers of apoptosis. Therefore, the activators of caspases and inducers of apoptosis of this invention may be used to induce cell death in a variety of clinical conditions in which uncontrolled growth and spread of abnormal cells occurs.