HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Cyclopentene-1-carboxylic acid
Cyclopent-1-ene-1-carboxylic acid · 1-CYCLOPENTENE-1-CARBOXYLIC ACID · cb1684 · Brn 1446347 · opentenecarboxyL · Isoaleprolic acid · 1-cyclopentenecarboxylate · 1-cyclopentenylcarboxylicacid
Identifikatoren & physikalische Daten
| CAS No. | 1560-11-8 |
|---|---|
| Summenformel | C6H8O2 |
| Durchschnittliche Molmasse | 112,13 g/mol |
| Monoisotopische Masse | 112,05242949 g/mol |
| SMILES | O=C(O)C1=CCCC1 |
| InChIKey | PYRZPBDTPRQYKG-UHFFFAOYSA-N |
| PubChem CID | 95964 |
| ChEMBL | CHEMBL115179 |
| EC No. | 626-080-2 |
| DTXSID | DTXSID90166023 |
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 | 8 |
| Formalladung | 0 |
| Komplexität | 135 |
| Schmelzpunkt | 121-124 °C (lit.) |
| Siedepunkt | 210°C |
| Dichte | 1.0795 (rough estimate) |
| Brechungsindex | 1.4570 (estimate) |
| Flammpunkt | 210°C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 5.00±0.20(Predicted) |
| Farbe | White to Off-White |
| BRN | 1446347 |
| InChI | InChI=1S/C6H8O2/c7-6(8)5-3-1-2-4-5/h3H,1-2,4H2,(H,7,8) |
| InChIKey | PYRZPBDTPRQYKG-UHFFFAOYSA-N |
| SMILES | C1(C(O)=O)CCCC=1 |
| CAS Datenbank | 1560-11-8(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Cyclopentene-1-carboxylic acid(1560-11-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (13.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (86.7%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (86.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (86.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (13.3%)Skin Irrit. 2 (86.7%)Eye Irrit. 2 (86.7%)STOT SE 3 (86.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3261 |
| Zollcode | 29162090 |
| RTECS-Nr. | GY5976100 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Gefahrenklasse | 8Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
1-Cyclopentenecarboxylic Acid can be used for enantioselective 1,3-dipolar cycloadditions of diazoacetates and solid-phase synthesis of substituted indolines. It can also be used to develop antagonists for A1- and A2-adenosine receptors.