3,5-Difluorobenzonitrile

3,5-Difluorobenzonitrile Structure
3,5-Difluorobenzonitrile structure
Common Name 3,5-Difluorobenzonitrile
CAS Number 64248-63-1 Molecular Weight 139.102
Density 1.3±0.1 g/cm3 Boiling Point 169.0±20.0 °C at 760 mmHg
Molecular Formula C7H3F2N Melting Point 84-86 °C(lit.)
MSDS Chinese USA Flash Point 56.0±21.8 °C
Symbol GHS07
GHS07
Signal Word Warning

3,5-Difluorobenzonitrile: ab initio calculations, FTIR and Raman spectra.

Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 58(9) , 1987-2004, (2002)

Geometry, vibrational wavenumbers and several thermodynamic parameters were calculated using ab initio quantum chemical methods for the 3,5-difluorobenzonitrile molecule. The results were compared with the experimental values. With the help of three specific ...