HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Propanoic acid, 2-(1-naphthalenyloxy)-
2-(1-Naphthoxy)propionic acid · 2-(1-naphthoxy)propionoic acid · 2-(1-naphthyloxy)propionic acid · (-)-2-(1-NAPHTHOXY)PROPIONIC ACID · (+)-2-(1-NAPHTHOXY)PROPIONIC ACID · 2-(1-Naphthalenyloxy)propanoicaci · 2-naphthalen-1-yloxypropanoic acid · 2-(1-NAPHTHALENYLOXY)PROPANOIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 13949-67-2 |
|---|---|
| Summenformel | C13H12O3 |
| Durchschnittliche Molmasse | 216,23 g/mol |
| Monoisotopische Masse | 216,07864424 g/mol |
| SMILES | CC(Oc1cccc2ccccc12)C(=O)O |
| InChIKey | KTAVXDDWEGVLRN-UHFFFAOYSA-N |
| PubChem CID | 85662 |
| EC No. | 623-119-5 |
| DTXSID | DTXSID60884520 |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 252 |
| Pestizide | Environmental transformation -> Pesticide transformation products (metabolite, successor) |
| Schmelzpunkt | 148-149 °C |
| Siedepunkt | 389.7±15.0 °C(Predicted) |
| Dichte | 1.231±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 3.57±0.30(Predicted) |
| Farbe | Pale Brown to Light Brown |
| CAS Datenbank | 13949-67-2 |
| EPA chemische Informationen | Propanoic acid, 2-(1-naphthalenyloxy)- (13949-67-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (97.5%) |
| TSCA-Inventar-Status | TSCA listed |
Anwendungen & Verwendung
Verwenden
2-(1-Naphthyloxy)propanoic Acid is a reactant used in the preparation of benzoxazole-based Inhibitors of Cryptosporidium parvum IMP dehydrogenase.