HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Fluoro-1-propanol
tl1510 · 3-fluoro-propano · 3-FLUOROPROPANOL · 3-FLUOROPROPAN-1-OL · 3-Fluoro-1-propanol · Propanol, 3-fluoro- · omega-fluoropropanol · 3-hydroxypropylfluoride
Identifikatoren & physikalische Daten
| CAS No. | 462-43-1 |
|---|---|
| Summenformel | C3H7FO |
| Durchschnittliche Molmasse | 78,09 g/mol |
| Monoisotopische Masse | 78,04809306 g/mol |
| SMILES | OCCCF |
| InChIKey | NLRJUIXKEMCEOH-UHFFFAOYSA-N |
| PubChem CID | 68042 |
| ChEMBL | CHEMBL4450750 |
| EC No. | 671-654-8 |
| DTXSID | DTXSID90196764 |
Chemische & physikalische Eigenschaften
| XLogP | -0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 16,4 |
| SpringerMaterials Properties | Coriolis coupling |
| LogP (Verteilungskoeffizient) | -0.28 |
| Siedepunkt | 127.5 °C |
| Dichte | 1.039 |
| Brechungsindex | 1.3771 |
| Flammpunkt | 20℃ |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Acetone, Methanol |
| Aggregatzustand | Oil |
| pKa (Säurekonstante) | 14.69±0.10(Predicted) |
| Farbe | Colourless |
| Wichte | 1.0390 |
| InChI | InChI=1S/C3H7FO/c4-2-1-3-5/h5H,1-3H2 |
| InChIKey | NLRJUIXKEMCEOH-UHFFFAOYSA-N |
| SMILES | C(O)CCF |
| CAS Datenbank | 462-43-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (60%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 2 (60%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| UN-Transportnummer | 1987 |
| Zollcode | 29051990 |
| R-Sätze (R) | 10-52-41-37/38-25-36/37/38 |
| Gefahrensymbole | F,T |
| Sicherheitshinweise (S) | 16-36-45-39-26-36/37/39-22 |
| Gefahrenklasse | FLAMMABLEAcute Tox. 3 OralAquatic Chronic 3Eye Dam. 1Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
3-Fluoropropan-1-ol is used as a reagent to synthesize fluorinated amino acids (e.g. DL-erythro-4-Fluoroglutamine [F591630]). 3-Fluoropropan-1-ol is also used as a reagent to synthesize labelled N-desmethyl-loperamide analogues, compounds that have potential use as imaging radiotracers.