structure of 2-METHYL-5-(TRIFLUOROMETHYL)PHENYLACETONITRILE

2-METHYL-5-(TRIFLUOROMETHYL)PHENYLACETONITRILE

CAS No.: 1000513-69-8
M. Wt: 199.17
M. Fa: C10H8F3N
InChI Key: NRPRLJRWRDKPDB-UHFFFAOYSA-N

Names and Identifiers of 1000513-69-8

CAS Number

1000513-69-8

MDL Number

MFCD09832285

IUPAC Name

2-[2-methyl-5-(trifluoromethyl)phenyl]acetonitrile

InChI

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

InChIKey

NRPRLJRWRDKPDB-UHFFFAOYSA-N

Canonical SMILES

CC1=CC=C(C(F)(F)F)C=C1CC#N

UNSPSC Code

12352100

Physical and chemical properties of 1000513-69-8

Molecular Formula

C10H8F3N

Molecular Weight

199.17

Safety Information of 1000513-69-8

Pictograms

Signal Word

 Warning

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

Applications of 1000513-69-8

2-Methyl-5-(trifluoromethyl)phenylacetonitrile finds applications in:

  • Pharmaceuticals: As an intermediate in the synthesis of various pharmaceutical compounds.
  • Agrochemicals: Used in the development of pesticides and herbicides due to its potential biological activity.
  • Material Science: As a building block in the synthesis of fluorinated materials with desirable properties.

Biological Activity of 1000513-69-8

While specific biological activities of 2-Methyl-5-(trifluoromethyl)phenylacetonitrile are not extensively documented, compounds with similar structures often exhibit significant biological properties, including antimicrobial and anti-inflammatory activities. The trifluoromethyl group is known to enhance lipophilicity, potentially increasing bioavailability and activity in biological systems.