49157

2-(2-Cyanethyl)cyclohexanon

≥97.0%

• Synonym(e): 2-Oxocyclohexan-2-propionitril, 3-(2-Oxocyclohexyl)-propionitril
• Empirische Formel (Hill-System): C₉H₁₃NO
• CAS-Nummer: 4594-78-9
• Molekulargewicht: 151.21
• EG-Nummer: 224-991-6
• MDL-Nummer: MFCD00013797
• UNSPSC-Code: 12352100
• PubChem Substanz-ID: 57651171
• NACRES: NA.22

Eigenschaften

• Assay: ≥97.0%
• Brechungsindex: n20/D 1.474
• Dichte: 1.024 g/mL at 20 °C (lit.)
• SMILES String: O=C1CCCCC1CCC#N
• InChI: 1S/C9H13NO/c10-7-3-5-8-4-1-2-6-9(8)11/h8H,1-6H2
• InChIKey: SPTVCXKSSRBTMN-UHFFFAOYSA-N

Beschreibung

Allgemeine Beschreibung

2-(2-Cyanethyl)cyclohexanone, also known as 3-(2-oxocyclohexyl)propionitrile, is an α-substituted cyclohexanone. It reacts with BrF₃(bromine trifluoride) to form the corresponding oxadecaline.[1]

Anwendung

2-(2-Cyanethyl)cyclohexanone may be used in the synthesis of 4-keto-nona-1,9-dioic acid by reacting with hydrogen peroxide.[2]

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 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral
• Lagerklassenschlüssel: 10 - Combustible liquids
• WGK: WGK 3
• Flammpunkt (°F): 235.4 °F - closed cup
• Flammpunkt (°C): 113 °C - closed cup
• Persönliche Schutzausrüstung: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter