4-Ethynylbenzonitrile

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Names

[ CAS No. ]:
3032-92-6

[ 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

  • 4-TRIMETHYLSILYLETHYNYLBENZONITRILE
  • Dimethyl (1-diazo-2-oxopropyl)phosphonate
  • 4-Cyanobenzaldehyde
  • 2-(2-trimethylsilylethynyl)benzonitrile
  • 4-Iodobenzonitrile
  • 4-(3-HYDROXY-PROP-1-YNYL)-BENZONITRILE
  • 4-(3-hydroxy-3-methylbut-1-ynyl)benzonitrile

DownStream

  • 4,4'-dicyanostilbene
  • Benzoxazole
  • 4-BENZOOXAZOL-2-YL-BENZONITRILE
  • P-CYANOACETOPHENONE
  • 4-CYANO-TRANS-BETA-STYRYLBORONIC ACID PINACOL ESTER
  • 4-hex-1-ynylbenzonitrile
  • 2,6-dichloronitrosobenzene
  • 4-[2-(4-bromophenyl)ethynyl]benzonitrile
  • 4-(2-phenylethynyl)benzonitrile
  • 4-TRIMETHYLSILYLETHYNYLBENZONITRILE

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...


More Articles

Related Compounds

  • 4-amino-2- chloro-5-ethynylbenzonitrile
  • 4-chlorooxolan-3-ol,formic acid
  • 4-Amino-2-chloro-5-(1H-tetrazol-5-yl)benzenesulfonamide
  • 4-(4-Chlorophenyl)-4-Bromopiperide
  • (4-acetyl-3,5-diacetyloxyphenyl) acetate
  • (4-chlorophenyl)-[1-(2-morpholin-4-ium-4-ylethyl)pyrrol-2-yl]methanone,chloride
  • N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]prop-2-enamide
  • N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]prop-2-enamide
  • 1-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]prop-2-en-1-one
  • N-((1-(2,2,2-Trifluoroethyl)pyrrolidin-2-yl)methyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
  • 2-(4-Hydroxyphenyl)-4,5-dihydrothiazole-4-carboxylic Acid
  • 6-(2,5-Dimethylpyrrolidin-1-yl)pyridine-3-carbaldehyde
  • 6-(2-Methylazetidin-1-yl)pyridine-3-carbaldehyde
  • 4-Hydroxy-5-(2-pyridinyl)thieno[2,3-b]pyridin-6(7h)-one
  • 5,6-DIchloro-2,3-dihydro-1H-inden-1-amine hydrochloride
  • 5-IOdo-1,3-bis(methoxymethyl)pyrimidine-2,4-dione
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