3,5-Difluorobenzonitrile

Names

[ Name ]:
3,5-Difluorobenzonitrile

[Synonym ]:
3,5-F2-C6H3CN
5-CYANO-1,3-DIFLUOROBENZENE
NCR CF EF
3,5-Difluorobenzonitril
EINECS 264-752-3
3,5-DIFLUOROBENZEONITRILE
MFCD00010311
3,5-Difluoro-1-benzonitrile
3,5-Difluorobenzonit
NC-3,5-F2-C6H3
3,5-Difluorobenzonitrile
3,5-difiuorobenzonitrile
Benzonitrile, 3,5-difluoro-
Benzonitrile,3,5-difluoro
3,5-difluoro nitrile
3,5-difluoro-benzonitrile

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
169.0±20.0 °C at 760 mmHg

[ Melting Point ]:
84-86 °C(lit.)

[ Molecular Formula ]:
C₇H₃F₂N

[ Molecular Weight ]:
139.102

[ Flash Point ]:
56.0±21.8 °C

[ Exact Mass ]:
139.023361

[ PSA ]:
23.79000

[ LogP ]:
1.32

[ Vapour Pressure ]:
1.6±0.3 mmHg at 25°C

[ Index of Refraction ]:
1.486

MSDS

Click to get detail MSDS

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302 + H312 + H332-H315-H319-H335

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R20/21/22;R36/37/38

[ Safety Phrases ]:
S26-S36-S36/37/39

[ RIDADR ]:
3276

[ WGK Germany ]:
3

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2926909090

[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles

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 wit...