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Bicyclo[2.2.1]hept-5-en-2-carbonsure
BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID · BICYCLO[2.2.1]-5-HEPTENE-2-CARBOXYLIC ACID · TIMTEC-BB SBB008175 · 5-Norbornene-2-carboxyL · Norbornenecarboxylic acid · 5-Hyboratene-2-formic acid · 5-Norbornene-2-carboxylicaci · 5-NORBORNENE-2-CARBOXYLIC ACID
![Molekülstruktur von Bicyclo[2.2.1]hept-5-en-2-carbonsure](/img/chemical/78949.png)
Identifikatoren & physikalische Daten
| CAS No. | 120-74-1 |
|---|---|
| Summenformel | C8H10O2 |
| Durchschnittliche Molmasse | 138,16 g/mol |
| Monoisotopische Masse | 138,06807956 g/mol |
| SMILES | O=C(O)C1CC2C=CC1C2 |
| InChIKey | FYGUSUBEMUKACF-UHFFFAOYSA-N |
| PubChem CID | 78949 |
| ChEMBL | CHEMBL276474 |
| EC No. | 204-422-8 |
| DTXSID | DTXSID80883313 |
| Lokaler Name | Bicyclo[2.2.1]hept-5-en-2-carbonsure |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 195 |
| Schmelzpunkt | 32.5-35 °C |
| Siedepunkt | 136-138 °C14 mm Hg(lit.) |
| Dichte | 1.129 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.494(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 4.63±0.20(Predicted) |
| Aggregatzustand | Liquid or solid |
| Farbe | Colorless to light yellow |
| Geruch | at 100.00 %. fruity, green |
| Geruchsart | fruity |
| Löslichkeit | Not miscible with water. |
| BRN | 637167 |
| InChI | 1S/C8H10O2/c9-8(10)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2,(H,9,10)/t5-,6+,7/m1/s1 |
| InChIKey | FYGUSUBEMUKACF-JEAXJGTLSA-N |
| SMILES | OC(=O)C1C[C@H]2C[C@@H]1C=C2 |
| CAS Datenbank | 120-74-1(CAS DataBase Reference) |
| NIST chemische Informationen | Bicyclo(2.2.1)hept-5-ene-2-carboxylic acid(120-74-1) |
| EPA chemische Informationen | Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (120-74-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (97.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (97.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3265 8/PG 3 |
| Zollcode | 29162090 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45-27 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | Ⅲ |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
5-Norbornene-2-carboxylic acid is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff.