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Cyclopropaneacetic acid
Cyclopropaneacetic acid · 2-Cyclopropaneacetic acid · TIMTEC-BB SBB005442 · RARECHEM AL BO 1300 · CYCLOPROPYLACETIC ACID · 2-Cyclopropyl-acetic acid · Cyclopropylaceticacid,97% · Cyclopropylacetic acid 95%
Identifikatoren & physikalische Daten
| CAS No. | 5239-82-7 |
|---|---|
| Summenformel | C5H8O2 |
| Durchschnittliche Molmasse | 100,12 g/mol |
| Monoisotopische Masse | 100,0524295 g/mol |
| SMILES | O=C(O)CC1CC1 |
| InChIKey | KVVDRQDTODKIJD-UHFFFAOYSA-N |
| PubChem CID | 138440 |
| EC No. | 670-932-6 |
| DTXSID | DTXSID60200403 |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 84,1 |
| Siedepunkt | 86-87°C 9mm |
| Dichte | 1,076 g/cm3 |
| Brechungsindex | 1.4350 |
| Flammpunkt | 93°C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Oil |
| pKa (Säurekonstante) | 4.76±0.10(Predicted) |
| Farbe | Clear Colourless |
| BRN | 2323311 |
| InChI | InChI=1S/C5H8O2/c6-5(7)3-4-1-2-4/h4H,1-3H2,(H,6,7) |
| InChIKey | KVVDRQDTODKIJD-UHFFFAOYSA-N |
| SMILES | C1(CC(O)=O)CC1 |
| CAS Datenbank | 5239-82-7(CAS DataBase Reference) |
| NIST chemische Informationen | Cyclopropaneacetic acid(5239-82-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (89.7%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 78 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (89.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3265 |
| Zollcode | 29162000 |
| R-Sätze (R) | 34-41-37/38-22 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45-39 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
Cyclopropylacetic Acid is used in the synthesis of many organic compounds. Such compounds include Cyproconazole which is an agricultural fungicide and also in synthesis of potent nicotinic acid receptor agonists used in treatment of Dyslipidemia.