structure of 4-Methyl-3-(trifluoromethyl)phenylacetonitrile

4-Methyl-3-(trifluoromethyl)phenylacetonitrile

CAS No.: 1000526-63-5
M. Wt: 199.172
M. Fa: C10H8F3N
InChI Key: FAFXSMKZLPNZEQ-UHFFFAOYSA-N

Names and Identifiers of 1000526-63-5

CAS Number

1000526-63-5

MDL Number

MFCD09832291

IUPAC Name

2-[4-methyl-3-(trifluoromethyl)phenyl]acetonitrile

InChI

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

InChIKey

FAFXSMKZLPNZEQ-UHFFFAOYSA-N

Canonical SMILES

CC1=C(C=C(C=C1)CC#N)C(F)(F)F

UNSPSC Code

12352100

Physical and chemical properties of 1000526-63-5

Boiling Point

232.1±35.0 °C at 760 mmHg

Density

1.2±0.1 g/cm3

Exact Mass

199.060883

Flash Point

94.2±25.9 °C

Index of Refraction

1.463

LogP

2.48

Molecular Formula

C10H8F3N

Molecular Weight

199.172

Vapour Pressure

0.1±0.5 mmHg at 25°C

Safety Information of 1000526-63-5

Pictograms

Signal Word

 Warning

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

Applications of 1000526-63-5

4-Methyl-3-(trifluoromethyl)phenylacetonitrile has several notable applications:

  • Synthetic Intermediate: It serves as an intermediate in the synthesis of pharmaceuticals and agrochemicals.
  • Fluorinated Materials: Its unique structure allows for the development of materials with specific electronic or optical properties.
  • Research Tool: The compound is used in research settings for studying reaction mechanisms and developing new synthetic methodologies.