4-Ethynylbenzonitrile

Names

[ Name ]:
4-Ethynylbenzonitrile

[Synonym ]:
Benzonitrile,4-ethynyl
4-(1-ethynyl)benzonitrile
4-cyanophenylacetylene
MFCD04974058
p-cyanophenylacetylene
4-Ethynylbenzonitrile 97
4-Ethynyl-benzonitrile
Benzonitrile, 4-ethynyl-
4-ethynylbenzenecarbonitrile
(4-cyanophenyl)ethyne
4-Ethynylbenzonitrile

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
230.2±23.0 °C at 760 mmHg

[ Melting Point ]:
156-160ºC(lit.)

[ Molecular Formula ]:
C₉H₅N

[ Molecular Weight ]:
127.143

[ Flash Point ]:
92.9±15.1 °C

[ Exact Mass ]:
127.042198

[ PSA ]:
23.79000

[ LogP ]:
1.84

[ Appearance of Characters ]:
Solid | Pale yellow

[ Vapour Pressure ]:
0.1±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.566

[ Water Solubility ]:
Slightly soluble in water.

MSDS

Click to get detail MSDS

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

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

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

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
36/37/38

[ Safety Phrases ]:
26-36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ 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

Hydrogen bonding to multifunctional molecules: spectroscopic and ab initio investigation of 4-ethynylbenzonitrile-(water)(1-3) complexes.

J. Phys. Chem. A 114(32) , 8337-44, (2010)

The water complexes of 4-ethynylbenzonitrile (4EBzN) were investigated with IR-UV double resonance spectroscopy. Water interacts with the pi electron density of the C[triple bond]N group in 4EBzN, lea...