structure of 2-(4-(Trifluoromethyl)pyridin-2-yl)acetonitrile

2-(4-(Trifluoromethyl)pyridin-2-yl)acetonitrile

CAS No.: 1000536-10-6
M. Wt: 186.13400
M. Fa: C8H5F3N2
InChI Key: WHYZMJPCMMNSSR-UHFFFAOYSA-N
Appearance: Yellow-brown Liquid

Names and Identifiers of 1000536-10-6

CAS Number

1000536-10-6

MDL Number

MFCD09923755

IUPAC Name

2-[4-(trifluoromethyl)pyridin-2-yl]acetonitrile

InChI

InChI=1S/C8H5F3N2/c9-8(10,11)6-2-4-13-7(5-6)1-3-12/h2,4-5H,1H2

InChIKey

WHYZMJPCMMNSSR-UHFFFAOYSA-N

Canonical SMILES

C1=CN=C(C=C1C(F)(F)F)CC#N

UNSPSC Code

12352100

Physical and chemical properties of 1000536-10-6

Boiling Point

237.881ºC at 760 mmHg

Density

1.307 g/cm3

Exact Mass

186.04000

Flash Point

97.667ºC

LogP

2.16648

Molecular Formula

C8H5F3N2

Molecular Weight

186.13400

PSA

36.68000

Storage condition

Sealed in dry,Room Temperature

Safety Information of 1000536-10-6

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1000536-10-6

The compound has several potential applications:

  • Pharmaceuticals: Due to its biological activity, it may serve as a lead compound in drug discovery for cancer therapeutics.
  • Agricultural Chemicals: Its unique properties could make it suitable for use in agrochemicals.
  • Material Science: The compound may find applications in developing advanced materials due to its chemical stability and reactivity.

Interaction Studies of 1000536-10-6

Interaction studies involving 2-(4-(Trifluoromethyl)pyridin-2-yl)acetonitrile focus on its binding affinity and efficacy against specific biological targets. These studies are crucial for understanding how the compound interacts at the molecular level with enzymes or receptors involved in disease processes. Preliminary data suggests potential interactions with proteins implicated in cancer pathways, although further research is needed to elucidate these mechanisms fully.

Biological Activity of 1000536-10-6

Research indicates that compounds containing trifluoromethyl groups often exhibit significant biological activity. For instance, derivatives of pyridine with trifluoromethyl substitutions have shown potential cytotoxic effects against various cancer cell lines, suggesting that 2-(4-(Trifluoromethyl)pyridin-2-yl)acetonitrile may possess similar biological properties. Specific studies on related compounds indicate their role in inhibiting tumor growth and modulating biological pathways associated with cancer progression.

Physical sample testing spectrum (NMR) of 1000536-10-6

Physical sample testing spectrum (NMR) of 1000536-10-6