structure of 2-Methyl-3-(trifluoromethyl)phenylacetonitrile

2-Methyl-3-(trifluoromethyl)phenylacetonitrile

CAS No.: 1000515-00-3
M. Wt: 199.172
M. Fa: C10H8F3N
InChI Key: VSBABDIMZJXXIU-UHFFFAOYSA-N

Names and Identifiers of 1000515-00-3

CAS Number

1000515-00-3

MDL Number

MFCD09832278

IUPAC Name

2-[2-methyl-3-(trifluoromethyl)phenyl]acetonitrile

InChI

InChI=1S/C10H8F3N/c1-7-8(5-6-14)3-2-4-9(7)10(11,12)13/h2-4H,5H2,1H3

InChIKey

VSBABDIMZJXXIU-UHFFFAOYSA-N

Canonical SMILES

CC1=C(C=CC=C1C(F)(F)F)CC#N

UNSPSC Code

12352100

Physical and chemical properties of 1000515-00-3

Boiling Point

234.5±35.0 °C at 760 mmHg

Density

1.2±0.1 g/cm3

Exact Mass

199.060883

Flash Point

95.6±25.9 °C

Index of Refraction

1.463

LogP

2.48

Melting Point

51-55℃

Molecular Formula

C10H8F3N

Molecular Weight

199.172

Vapour Pressure

0.1±0.5 mmHg at 25°C

Safety Information of 1000515-00-3

Pictograms

Signal Word

 Warning

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

Applications of 1000515-00-3

2-Methyl-3-(trifluoromethyl)phenylacetonitrile finds applications in various fields:

  • Pharmaceuticals: It serves as an intermediate in the synthesis of pharmaceuticals due to its unique functional groups.
  • Agricultural Chemicals: The compound may be utilized in developing agrochemicals, particularly those targeting pest control.
  • Material Science: Its properties make it suitable for use in developing advanced materials with specific thermal and chemical resistance.

Interaction Studies of 1000515-00-3

Interaction studies involving 2-Methyl-3-(trifluoromethyl)phenylacetonitrile focus on its reactivity with biological molecules and other chemicals. Investigations into its binding affinity with enzymes or receptors are crucial for understanding its potential therapeutic applications. Additionally, studies on its interaction with various solvents and reagents help elucidate its behavior in different chemical environments.