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1-Boc-3-(bromomethyl)azetidine
tert-butyl 3-(broMoMethyl)azetidine-1-carboxylate · 1-BOC-3-BROMOMETHYLAZETID · 1-Boc-3-(bromomethyl)azet... · 1-Boc-3-(bromomethyl)azetidine · 1-Boc-3-(bromomethyl)azetidine,95% · N-(tert-Butoxycarbonyl)-3-broMoMethylazetidine · ert-Butyl 3-(bromomethyl)azetidine-1-carboxylate · N-(tert-Butoxycarbonyl)-3-bromomethylazetidine - [B0261]
Identifikatoren & physikalische Daten
| CAS No. | 253176-93-1 |
|---|---|
| Summenformel | C9H16BrNO2 |
| Durchschnittliche Molmasse | 250,13 g/mol |
| Monoisotopische Masse | 249,03644 g/mol |
| SMILES | CC(C)(C)OC(=O)N1CC(CBr)C1 |
| InChIKey | PUKCUGDJEPVLPR-UHFFFAOYSA-N |
| PubChem CID | 53350331 |
| EC No. | 802-192-9 |
| DTXSID | DTXSID20693599 |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 194 |
| Schmelzpunkt | 38-40°C |
| Siedepunkt | 281.2±13.0 °C(Predicted) |
| Dichte | 1.363±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly)Sparingly soluble in water at 25°C, 0.83 g/L. |
| pKa (Säurekonstante) | -2.33±0.40(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Off-White |
| Stabilität | Light Sensitive |
| InChI | InChI=1S/C9H16BrNO2/c1-9(2,3)13-8(12)11-5-7(4-10)6-11/h7H,4-6H2,1-3H3 |
| InChIKey | PUKCUGDJEPVLPR-UHFFFAOYSA-N |
| SMILES | N1(C(OC(C)(C)C)=O)CC(CBr)C1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (33.3%) |
| Zollcode | 2933998090 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
It is used as an active pharmaceutical intermediate.