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Bicyclo[2.2.1]hept-5-en-2-methanol
Bicyclo[2.2.1]hept-5-en-2-ylmethanol · Cyclol · 5-Norbornen-2-methanol · 2-HYDROXYMETHYL-1-BICYCLO(2.2.1)HEPT-5-ENE · TIMTEC-BB SBB008580 · 5-Norbronene-2-methanol · 5-NORBORNENE-2-METHANOL · Norborn-5-ene-2-methanol
![Molekülstruktur von Bicyclo[2.2.1]hept-5-en-2-methanol](/img/chemical/78946.png)
Identifikatoren & physikalische Daten
| CAS No. | 95-12-5 |
|---|---|
| Summenformel | C8H12O |
| Durchschnittliche Molmasse | 124,18 g/mol |
| Monoisotopische Masse | 124,088815 g/mol |
| SMILES | OCC1CC2C=CC1C2 |
| InChIKey | LUMNWCHHXDUKFI-UHFFFAOYSA-N |
| PubChem CID | 78946 |
| EC No. | 202-392-0 |
| DTXSID | DTXSID3038698 |
| Lokaler Name | Bicyclo[2.2.1]hept-5-en-2-methanol |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 140 |
| Siedepunkt | 97 °C/20 mmHg (lit.) |
| Dichte | 1.027 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.500(lit.) |
| Flammpunkt | 188 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 14.92±0.10(Predicted) |
| Farbe | Colorless to Almost colorless |
| InChI | 1S/C8H12O/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-9H,3-5H2/t6-,7+,8/m0/s1 |
| InChIKey | LUMNWCHHXDUKFI-KJFJCRTCSA-N |
| SMILES | OCC1C[C@@H]2C[C@H]1C=C2 |
| CAS Datenbank | 95-12-5(CAS DataBase Reference) |
| NIST chemische Informationen | 5-Norbornene-2-methanol(95-12-5) |
| EPA chemische Informationen | Bicyclo[2.2.1]hept-5-ene-2-methanol (95-12-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Bicyclo2.2.1hept-5-ene-2-methanol: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2906190090 |
| R-Sätze (R) | 20/21/22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 36/37/39-45 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Verwenden
5-Norbornene-2-methanol has been used in the preparation of:4-(norborn-2-ene-5-ylmethyleneoxy)-2,2′:6′,2′′-terpyridine5- {[(3,5-di-t-butyl-4-hydroxy-benzoyl)oxy]methyl}-2-norbornene (BHBN)