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3-Bromo-5-iodopyridine
Zinc00336771 · 5-BROMO-3-IODOPYRIDINE · 3-BROMO-5-IODO-PYRIDINE · Pyridine, 3-bromo-5-iodo- · 3-Bromo-5-iodopyridine >C5H3BrIN 3-BROMO-5-IODOPYRIDINE · 3-BroMo-5-iodopyridine · 3-Bromo-5-iodo-pyridine ISO 9001：2015 REACH
Identifikatoren & physikalische Daten
| CAS No. | 233770-01-9 |
|---|---|
| Summenformel | C5H3BrIN |
| Durchschnittliche Molmasse | 283,89 g/mol |
| Monoisotopische Masse | 282,8493592 g/mol |
| SMILES | Brc1cncc(I)c1 |
| InChIKey | AOOZLVWDZUPEHT-UHFFFAOYSA-N |
| PubChem CID | 820409 |
| EC No. | 625-265-5 |
| DTXSID | DTXSID50356206 |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 78,8 |
| Schmelzpunkt | 127-131 °C |
| Siedepunkt | 266.5±25.0 °C(Predicted) |
| Dichte | 2.347±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| pKa (Säurekonstante) | 0.85±0.20(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Off-white |
| Löslichkeit | Slightly soluble in water. |
| InChI | InChI=1S/C5H3BrIN/c6-4-1-5(7)3-8-2-4/h1-3H |
| InChIKey | AOOZLVWDZUPEHT-UHFFFAOYSA-N |
| SMILES | C1=NC=C(I)C=C1Br |
| CAS Datenbank | 233770-01-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2933399990 |
| R-Sätze (R) | 36/37/38-41-22 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Harmful |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Dam. 1 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Reactant in the synthesis chiral 4, 4-Bipyridines. 3-bromo-5-(trifluoromethyl)pyridine is prepared from 3-Bromo-5-iodopyridine.