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2-Amino-5-brombenzoylpyridin
C2HyBnN2O · Bromazepam Impurity A · Tocopherol Impurity 30 · Bromazepam EP Impurity A · 2-(2-AMINO-5-BROMOBENZOYL) · 2-amino-5-bromobenzoylpyridine · 2-(2-Ao-5-bromobenzoyl) pyridine · 2-(5-Bromo-2-aminobenzoyl)pyridine
Identifikatoren & physikalische Daten
| CAS No. | 1563-56-0 |
|---|---|
| Summenformel | C12H9BrN2O |
| Durchschnittliche Molmasse | 277,12 g/mol |
| Monoisotopische Masse | 275,98982501 g/mol |
| SMILES | Nc1ccc(Br)cc1C(=O)c1ccccn1 |
| InChIKey | KHVZPFKJBLTYCC-UHFFFAOYSA-N |
| PubChem CID | 73807 |
| EC No. | 216-352-5 |
| DTXSID | DTXSID60166070 |
| Lokaler Name | 2-Amino-5-brombenzoylpyridin |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 56 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 259 |
| Schmelzpunkt | 98-100℃ |
| Siedepunkt | 451℃ |
| Dichte | 1.546 |
| Flammpunkt | 227℃ |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Sparingly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 2.66±0.10(Predicted) |
| Farbe | Light Yellow to Yellow |
| InChI | InChI=1S/C12H9BrN2O/c13-8-4-5-10(14)9(7-8)12(16)11-3-1-2-6-15-11/h1-7H,14H2 |
| InChIKey | KHVZPFKJBLTYCC-UHFFFAOYSA-N |
| SMILES | C(C1=CC(Br)=CC=C1N)(C1=NC=CC=C1)=O |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 50% (4 of 8) of reports.WarningH302 (37.5%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 20-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19212 |
| Hazard Classes and Categories | Acute Tox. 4 (37.5%) |
| Zollcode | 2933399990 |
Anwendungen & Verwendung
Verwenden
2-(2-Amino-5-bromobenzoyl)pyridine is used as an intermediate in the preparation of Bromazepam.