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Azetidin
Azacyclobutane · Trimethylenimine · Aztidine · AZETIDINE · AZETIDINE 99% · Azetidine,98% · Azetidine ,95% · tetrahydroazete
Identifikatoren & physikalische Daten
| CAS No. | 503-29-7 |
|---|---|
| Summenformel | C3H7N |
| Durchschnittliche Molmasse | 57,09 g/mol |
| Monoisotopische Masse | 57,05784922 g/mol |
| SMILES | C1CNC1 |
| InChIKey | HONIICLYMWZJFZ-UHFFFAOYSA-N |
| PubChem CID | 10422 |
| ChEMBL | CHEMBL2171713 |
| ChEBI | CHEBI:30968 |
| EC No. | 207-963-8 |
| DTXSID | DTXSID8060117 |
| Lokaler Name | Azetidin |
Chemische & physikalische Eigenschaften
| XLogP | -0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 12 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 4 |
| Formalladung | 0 |
| Komplexität | 17,2 |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| Dissociation Constants | 11.3 |
| Schmelzpunkt | -70°C |
| Siedepunkt | 61-62 °C(lit.) |
| Dichte | 0.847 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.432(lit.) |
| Flammpunkt | −5 °F |
| Lagerbedingungen | Store below +30°C. |
| pKa (Säurekonstante) | 11.29(at 25℃) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless |
| Löslichkeit | miscible |
| BRN | 102384 |
| Henry-Konstante | 4.8×100 mol/(m3Pa) at 25℃, Ebert et al. (2023) |
| InChI | 1S/C3H7N/c1-2-4-3-1/h4H,1-3H2 |
| InChIKey | HONIICLYMWZJFZ-UHFFFAOYSA-N |
| SMILES | C1CNC1 |
| CAS Datenbank | 503-29-7(CAS DataBase Reference) |
| NIST chemische Informationen | Azetidine(503-29-7) |
| EPA chemische Informationen | Azetidine (503-29-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Azetidine: HSNO Approval: HSR004353 Approved with controls |
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| F | 2-10 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2733 3/PG 2 |
| Zollcode | 29339990 |
| R-Sätze (R) | 11-34 |
| Gefahrensymbole | F,C |
| Sicherheitshinweise (S) | 16-26-36/37/39-45 |
| Gefahrenklasse | 3.1Eye Dam. 1Flam. Liq. 2Skin Corr. 1B |
| Verpackungsgruppe | I |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Azetidine is involved in a high yielding palladium-catalyzed cross-coupling reaction with aryl bromides. Further, it is used in Ullmann type coupling reaction with iodonitroflourenes. In addition to this, it reacts with bis-(3-amino-propyl)-amine to prepare N,N'-bis-(3-amino-propyl)-propanediyldiamine using palladium as a catalyst.