HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2,2-Difluoro-4-pentenoic acid
2,2-Difluoropent-4-enoic acid · 4-Pentenoic acid, 2,2-difluoro- · 2,2-Difluoro-4-pentenoicacid,97% · 2,2-Difluoropent-4-enoic acid,98% (stabilized with MEHQ)
Identifikatoren & physikalische Daten
| CAS No. | 55039-89-9 |
|---|---|
| Summenformel | C5H6F2O2 |
| Durchschnittliche Molmasse | 136,1 g/mol |
| Monoisotopische Masse | 136,03358587 g/mol |
| SMILES | C=CCC(F)(F)C(=O)O |
| InChIKey | LHOKYUDUAYXFGF-UHFFFAOYSA-N |
| PubChem CID | 11954656 |
| EC No. | 679-451-6 |
| DTXSID | DTXSID30474654 |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 131 |
| Siedepunkt | 56-58°C/3mm |
| Dichte | 1.218 |
| Flammpunkt | 55℃ |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 1.27±0.10(Predicted) |
| Löslichkeit | Immiscible with water. |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (28.6%) |
| UN-Transportnummer | 3265 |
| Zollcode | 2916199590 |
| Gefahrensymbole | Xi |
| Gefahrenklasse | 8 |
| Verpackungsgruppe | Ⅱ |
Anwendungen & Verwendung
Verwenden
2,2-Difluoro-4-pentenoic acid is involved in the iodolactonization reaction to give the corresponding gamma- lactone, which is converted to prepare prepare 5-hydroxy-3,3-difluoropiperidine.