633453

4-Cyanophenylessigsäure

97%

• Empirische Formel (Hill-System): C₉H₇NO₂
• CAS-Nummer: 5462-71-5
• Molekulargewicht: 161.16
• EG-Nummer: 226-753-7
• MDL-Nummer: MFCD06798066
• UNSPSC-Code: 12352100
• PubChem Substanz-ID: 24882554
• NACRES: NA.22

Eigenschaften

• Assay: 97%
• Form: solid
• mp (Schmelzpunkt): 150-154 °C (lit.)
• SMILES String: OC(=O)Cc1ccc(cc1)C#N
• InChI: 1S/C9H7NO2/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4H,5H2,(H,11,12)
• InChIKey: WEBXRQONNWEETE-UHFFFAOYSA-N

Beschreibung

Anwendung

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.

Sicherheitshinweise

• Piktogramme: GHS07
• Signalwort: Warning
• H-Sätze: H302,H315,H319
• P-Sätze: P264 - P280 - P301 + P312 - P302 + P352 - P305 + P351 + P338 - P332 + P313
• Gefahreneinstufungen: Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2
• Lagerklassenschlüssel: 11 - Combustible Solids
• WGK: WGK 3
• Persönliche Schutzausrüstung: dust mask type N95 (US), Eyeshields, Gloves