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

3-Chloro-4-(trifluoromethyl)phenylacetonitrile

CAS No.: 1000530-58-4
M. Wt: 219.591
M. Fa: C9H5ClF3N
InChI Key: YJHNYZHRYHJFFK-UHFFFAOYSA-N
Appearance: Light Yellow To Brown (Solid-Liquid Mixture)

Names and Identifiers of 1000530-58-4

CAS Number

1000530-58-4

MDL Number

MFCD09924313

IUPAC Name

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

InChI

InChI=1S/C9H5ClF3N/c10-8-5-6(3-4-14)1-2-7(8)9(11,12)13/h1-2,5H,3H2

InChIKey

YJHNYZHRYHJFFK-UHFFFAOYSA-N

Canonical SMILES

N#CCC1=CC=C(C(F)(F)F)C(Cl)=C1

UNSPSC Code

12352100

Physical and chemical properties of 1000530-58-4

Boiling Point

266.9±35.0 °C at 760 mmHg

Density

1.4±0.1 g/cm3

Exact Mass

219.006256

Flash Point

115.2±25.9 °C

Index of Refraction

1.478

LogP

2.76

Molecular Formula

C9H5ClF3N

Molecular Weight

219.591

Vapour Pressure

0.0±0.5 mmHg at 25°C

Safety Information of 1000530-58-4

Pictograms

Signal Word

 Warning

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

Applications of 1000530-58-4

3-Chloro-4-(trifluoromethyl)phenylacetonitrile finds applications in several domains:

  • Pharmaceuticals: It serves as an intermediate in the synthesis of various pharmaceuticals.
  • Agricultural Chemicals: The compound may be used in the formulation of agrochemicals due to its potential biological activity.
  • Material Science: Its unique properties make it suitable for developing specialized materials, particularly those requiring fluorinated compounds.