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ChemicalBook--->CAS DataBase List--->5462-71-5

5462-71-5

5462-71-5 Structure

5462-71-5 Structure
IdentificationBack Directory
[Name]

4-CYANOPHENYLACETIC ACID
[CAS]

5462-71-5
[Synonyms]

4-CYANOPHENYLACETIC ACID
4-Cyanobenzeneacetic acid
2-(4-CYANOPHENYL)ACETIC ACID
Benzeneacetic acid, 4-cyano-
4-Cyanophenylacetic acid 97%
4-Cyanophenylacetic acid ,98%
2-(4-cyanophenyl)ethanoic acid
4-Cyanophenylacetic Acid(WX610399)
[EINECS(EC#)]

226-753-7
[Molecular Formula]

C9H7NO2
[MDL Number]

MFCD06798066
[MOL File]

5462-71-5.mol
[Molecular Weight]

161.16
Chemical PropertiesBack Directory
[Melting point ]

150-154 °C(lit.)
[Boiling point ]

355.2±25.0 °C(Predicted)
[density ]

1.26±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Soluble in CHCl3, THF, dioxane.
[form ]

Powder
[pka]

3.93±0.10(Predicted)
[color ]

White to pale brown
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22-36/38
[Safety Statements ]

26
[RIDADR ]

UN3439
[WGK Germany ]

3
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29269090
Hazard InformationBack Directory
[Chemical Properties]

Off-white crystals
[Uses]

4-Cyanophenylacetic acid can be used as a nitrile precursor to synthesize 1,2,4,5-tetrazines by reacting with aliphatic nitriles and hydrazine in the presence of Lewis acid metal catalysts.
It can also be used as a reactant to prepare:
  • 4-pyrrolo[1,2-a]quinoxalin-4-ylbenzonitrile by copper-catalyzed reaction with 1-(2-aminoaryl)pyrrole in the presence of 2,2′-bipyridyl as the ligand.
  • 4-(1,2-Diphenyl-1H-imidazol-4-yl)benzonitrile by one-pot three-component reaction with N-phenylbenzamidine and nitromethane via activation of C-H and N-H bonds.
  • 4-Cyano-N,N-di-2-propen-1-ylbenzeneacetamide by reacting with diallylamine.

Spectrum DetailBack Directory
[Spectrum Detail]

4-CYANOPHENYLACETIC ACID(5462-71-5)MS
4-CYANOPHENYLACETIC ACID(5462-71-5)IR1
4-CYANOPHENYLACETIC ACID(5462-71-5)IR2
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