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Bicyclo[2.2.1]heptan-2-carbonsure
Einecs 212-532-2 · TIMTEC-BB SBB008208 · 2-NORBORNANECARBOXYLIC ACID · NORBORNANE-2-CARBOXYLIC ACID · Bicyclo(2.2.1) Heptane-2-Barboxy · Bicyclo2.2.1üheptane-2-carboxylic acid · BICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID · norbornane-2-carboxylic acid - [N87486]
![Molekülstruktur von Bicyclo[2.2.1]heptan-2-carbonsure](/img/chemical/79113.png)
Identifikatoren & physikalische Daten
| CAS No. | 824-62-4 |
|---|---|
| Summenformel | C8H12O2 |
| Durchschnittliche Molmasse | 140,18 g/mol |
| Monoisotopische Masse | 140,08372962 g/mol |
| SMILES | O=C(O)C1CC2CCC1C2 |
| InChIKey | JESWDXIHOJGWBP-UHFFFAOYSA-N |
| PubChem CID | 79113 |
| EC No. | 212-532-2 |
| DTXSID | DTXSID90901315 |
| Lokaler Name | Bicyclo[2.2.1]heptan-2-carbonsure |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 165 |
| Schmelzpunkt | 40°C |
| Siedepunkt | 134-136°C 16mm |
| Dichte | 1.193±0.06 g/cm3(Predicted) |
| Brechungsindex | 1.4855 |
| Flammpunkt | >100°C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | crystals |
| pKa (Säurekonstante) | 4.83±0.20(Predicted) |
| Farbe | White |
| Löslichkeit | Insoluble in water. |
| BRN | 2042631 |
| CAS Datenbank | 824-62-4(CAS DataBase Reference) |
| NIST chemische Informationen | Bicyclo(2.2.1)heptane-2-carboxylic acid(824-62-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.H314 (83.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (83.3%)Eye Dam. 1 (100%) |
| UN-Transportnummer | UN3261 |
| Zollcode | 2916200090 |
| R-Sätze (R) | 36/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 8 |
Anwendungen & Verwendung
Verwenden
Norbornane-2-carboxylic acid is used in the preparation of 2-Bromonorbornane-1-carboxylic acid. It is also used as Pharmaceutical intermediates.