1-Bicyclo[2.2.1]hept-2-ylethanone

CAS: 58654-66-3

Ref. 3D-FB114448

Product Information

• Name: 1-Bicyclo[2.2.1]hept-2-ylethanone
• Synonyms: 1-(3-Bicyclo[2.2.1]heptanyl)ethanone, 1-(Bicyclo[2.2.1]Hept-2-Yl)Ethanone, 1-[Bicyclo[2.2.1]heptan-2-yl]ethan-1-one, 2-Acetylnorbornane, Ethanone, 1-bicyclo[2.2.1]hept-2-yl-, Ketone, methyl 2-norbornyl, Methyl 2-norbornyl ketone, NSC 23475

Description

The bicyclo[2.2.1]hept-2-ylethanone is an isomer of the bicyclo[2.2.1]heptane, with a ketone group in place of a methylene group on one ring. It is a mixture of two isomers: the cis and trans form, which are in equilibrium with each other at room temperature. The equilibrium constants for this reaction are Kcis = 6.6×10 and Ktrans = 1.4×10 at 25°C and pH 7, respectively, which means that the trans isomer predominates at low concentrations and the cis form predominates at high concentrations.

• Brand: Biosynth

Chemical properties

• Molecular weight: 138.21 g/mol
• Formula: C₉H₁₄O
• Purity: Min. 95%
• InChI: InChI=1S/C9H14O/c1-6(10)9-5-7-2-3-8(9)4-7/h7-9H,2-5H2,1H3
• InChI key: InChIKey=NDZIFIKZHLSCFR-UHFFFAOYSA-N
• SMILES: CC(=O)C1CC2CCC1C2