HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Brompyrimidin
2-Bromopyrimide · 2-BroMpyriMidine · 2-bromo-pyrimidin · 2-BROMOPYRIMIDINE · 2 Bromo pydrimine · 2-Bromo-1,3-diazine · PYRIMIDINE, 2-BROMO- · 2-Bromopyrimidine >2 - broMine pyriMidine
Identifikatoren & physikalische Daten
| CAS No. | 4595-60-2 |
|---|---|
| Summenformel | C4H3BrN2 |
| Durchschnittliche Molmasse | 158,98 g/mol |
| Monoisotopische Masse | 157,9479602 g/mol |
| SMILES | Brc1ncccn1 |
| InChIKey | PGFIHORVILKHIA-UHFFFAOYSA-N |
| PubChem CID | 78345 |
| ChEMBL | CHEMBL5414935 |
| EC No. | 224-993-7 |
| DTXSID | DTXSID9063532 |
| Lokaler Name | 2-Brompyrimidin |
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 51,7 |
| SpringerMaterials Properties | Electric dipole moment |
| LogP (Verteilungskoeffizient) | 0.5 |
| Schmelzpunkt | 55-57 °C (lit.) |
| Siedepunkt | 62-64°C (1.5 mmHg) |
| Dichte | 1.6448 (rough estimate) |
| Brechungsindex | 1.5260 (estimate) |
| Flammpunkt | 62-64°C/1.5mm |
| Lagerbedingungen | -20°C |
| Löslichkeit | DMSO (Sparingly), Methanol (Slightly)Miscible with water. |
| pKa (Säurekonstante) | -1.59±0.13(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | Off-white |
| BRN | 605945 |
| InChI | 1S/C4H3BrN2/c5-4-6-2-1-3-7-4/h1-3H |
| InChIKey | PGFIHORVILKHIA-UHFFFAOYSA-N |
| SMILES | Brc1ncccn1 |
| CAS Datenbank | 4595-60-2(CAS DataBase Reference) |
| NIST chemische Informationen | Pyrimidine, 2-bromo-(4595-60-2) |
| EPA chemische Informationen | Pyrimidine, 2-bromo- (4595-60-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29335990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Bromopyrimidine is used in the preparation of 2,7-bis(2-pyrimidyl)-9,9-dihexylfluorene by cross-coupling with 9,9-dihexylfluorene-2,7-diboronic acid. It undergoes microwave-assisted aminocarbonylation at C-2 with palladium and molybdenum hexacarbonyl.
Herstellung & Synthese
synthetische
The recent synthesis of 2-bromopyrimidine by diazotization of 2-aminopyrimidine in hydrobromic acid has furnished a convenient starting material for other 2-substituted pyrimidines.