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1,2-Cyclopentanedicarboxylate
TRANS-1,2-CYCLOPENTANEDICARBOXYLIC ACID · 1,2-Cyclopentane DiforMic Acid · trans-DL-Cyclopentane-1,2-dicarb · Transpentane-1,2-dicarboxylic acid · 1,2-cyclopentane dicarboxylic acid · trans-2-cyclopentanedicarboxylicacid · rans-Cyclopentane-1,2-dicarboxylicaci · 1,2-CYCLOPENTANEDICARBOXYLIC ACID:98+%
Identifikatoren & physikalische Daten
| CAS No. | 1461-97-8 |
|---|---|
| Summenformel | C7H10O4 |
| Durchschnittliche Molmasse | 158,15 g/mol |
| Monoisotopische Masse | 158,0579088 g/mol |
| SMILES | O=C(O)C1CCCC1C(=O)O |
| InChIKey | ASJCSAKCMTWGAH-UHFFFAOYSA-N |
| PubChem CID | 89554 |
| EC No. | 633-363-4 |
| DTXSID | DTXSID40944515 |
| Lokaler Name | trans-DL-Cyclopentan-1,2-dicarbonsure |
Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 74,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 167 |
| Schmelzpunkt | 163-165 °C(lit.) |
| Siedepunkt | 46-49 °C(Press: 110 Torr) |
| Dichte | 1.396±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSOMethanol |
| pKa (Säurekonstante) | pK1:3.96pK2:5.85 (25°C) |
| Aggregatzustand | Solid |
| Farbe | Off-white |
| InChI | InChI=1/C7H10O4/c8-6(9)4-2-1-3-5(4)7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)/t4-,5-/s3 |
| InChIKey | ASJCSAKCMTWGAH-GADJSHNENA-N |
| SMILES | [C@@H]1(C(O)=O)CCC[C@H]1C(O)=O |&1:0,7,r| |
| EPA chemische Informationen | 1,2-Cyclopentanedicarboxylic acid, (1R,2R)-rel- (1461-97-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2917200090 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
trans-1,2-Cyclopentanedicarboxylic Acid is used as a reagent in the synthesis of isoxazoline and oxazoline analogs of CDA54 as voltage gated sodium channel blockers. trans-1,2-Cyclopentanedicarboxylic Acid is also a reagent in the preparation of cyclopentanedicarboxamide sodium channel blockers as a potential treatment for chronic pain.