393320

2,4,6-Cycloheptatrien-1-carbonitril

95%

• Empirische Formel (Hill-System): C₈H₇N
• CAS-Nummer: 13612-59-4
• Molekulargewicht: 117.15
• MDL-Nummer: MFCD00191965
• UNSPSC-Code: 12352100
• PubChem Substanz-ID: 24864514
• NACRES: NA.22

Eigenschaften

• Assay: 95%
• Form: liquid
• Brechungsindex: n20/D 1.533 (lit.)
• bp: 51-53 °C/1.5 mmHg (lit.)
• Dichte: 1.017 g/mL at 25 °C (lit.)
• Funktionelle Gruppe: nitrile
• SMILES String: N#CC1C=CC=CC=C1
• InChI: 1S/C8H7N/c9-7-8-5-3-1-2-4-6-8/h1-6,8H
• InChIKey: LADCKIXFXIKHQM-UHFFFAOYSA-N

Beschreibung

Allgemeine Beschreibung

2,4,6-Cycloheptatriene-1-carbonitrile (7-Cyanocycloheptatriene) is a 7-substituted cycloheptatriene. Its synthesis by reacting tropylium cation with cyanide anion has been described. 2,4,6-cycloheptatriene-1-carbonitrile affords toluene or toluonitrile during flash photolysis studies. Its diamagnetic susceptibility has been determined, which is useful for the derivation of its susceptibility exaltation. It reacts with acetyl acetone in the presence of Mn(OAc)₃ to form products derived from the norcaradiene structure.

Anwendung

Useful model for EPR and intramolecular proton transfer studies of cycloheptatriene radicals and anions. Can also be used to generate dihydroazocines and hydrooxocins.

Sicherheitshinweise

• Piktogramme: GHS07
• Signalwort: Warning
• H-Sätze: H302 + H312 + H332
• P-Sätze: P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312
• Gefahreneinstufungen: Acute Tox. 4 Oral
• Lagerklassenschlüssel: 10 - Combustible liquids
• WGK: WGK 3
• Flammpunkt (°F): 185.0 °F - closed cup
• Flammpunkt (°C): 85 °C - closed cup
• Persönliche Schutzausrüstung: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter