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Bicyclo[2.2.1]hept-5-en-2-carbaldehyd
5-NORBORNENE-2-CARBALDEHYDE · BICYCLO[2.2.1]HEPT-5-ENE-2-CARBALDEHYDE · AKOS BC-0598 · TIMTEC-BB SBB005755 · 2-Formyl-5-norbornene · 5-Formyl-2-norbornene. · 2-Formylnorborna-5-ene · 2- aldehyde 5-norbornene
![Molekülstruktur von Bicyclo[2.2.1]hept-5-en-2-carbaldehyd](/img/chemical/95117.png)
Identifikatoren & physikalische Daten
| CAS No. | 5453-80-5 |
|---|---|
| Summenformel | C8H10O |
| Durchschnittliche Molmasse | 122,16 g/mol |
| Monoisotopische Masse | 122,07316494 g/mol |
| SMILES | O=CC1CC2C=CC1C2 |
| InChIKey | AJIBZRIAUXVGQJ-UHFFFAOYSA-N |
| PubChem CID | 95117 |
| ChEMBL | CHEMBL4549018 |
| EC No. | 226-698-9 |
| DTXSID | DTXSID20884162 |
| Lokaler Name | Bicyclo[2.2.1]hept-5-en-2-carbaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 160 |
| Siedepunkt | 67-70 °C12 mm Hg(lit.) |
| Dichte | 1.03 g/mL at 20 °C(lit.) |
| Brechungsindex | n20/D 1.490(lit.) |
| Flammpunkt | 123 °F |
| Lagerbedingungen | Flammables area |
| Aggregatzustand | Powder |
| Wichte | 1.032 |
| Farbe | White to yellow to beige |
| Löslichkeit | insoluble |
| BRN | 1363813 |
| InChI | InChI=1S/C8H10O/c9-5-8-4-6-1-2-7(8)3-6/h1-2,5-8H,3-4H2 |
| InChIKey | AJIBZRIAUXVGQJ-UHFFFAOYSA-N |
| SMILES | C12CC(C=C1)CC2C=O |
| CAS Datenbank | 5453-80-5(CAS DataBase Reference) |
| NIST chemische Informationen | Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde(5453-80-5) |
| EPA chemische Informationen | Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde (5453-80-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1989 3/PG 3 |
| Zollcode | 29122990 |
| R-Sätze (R) | 10-36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 23-37/39-26-16 |
| Gefahrenklasse | 3Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
5-Norbornene-2-carboxaldehyde was used in transition metal-catalyzed synthesis of norbornene-derived homopolymers having pendent t-Boc-protected quinizarin moieties for patterned fluorescence images. It acts as Diels-Alder adduct of acrolein and cyclopentadiene. It can be used as protected form of acrolein, from which the double bond may be liberated by cycloreversion, e.g. in a useful synthesis of 2-vinylimidazole.