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2-Brom-6-methylpyridin
2-BROMO-6-PICOLINE · 2-Bromo-6-methyL · 6-BROMO-2-PICOLINE · 6-Bromo-2-picoline,97% · 2-Brom-6-methylpyridin · 2-Bromo-6-methylpyrdine · 2-BROMO-6-METHYLPYRIDINE · 2-bormo-6-methylpyridine
Identifikatoren & physikalische Daten
| CAS No. | 5315-25-3 |
|---|---|
| Summenformel | C6H6BrN |
| Durchschnittliche Molmasse | 172,02 g/mol |
| Monoisotopische Masse | 170,96836129 g/mol |
| SMILES | Cc1cccc(Br)n1 |
| InChIKey | SOHDPICLICFSOP-UHFFFAOYSA-N |
| PubChem CID | 79205 |
| EC No. | 226-173-4 |
| DTXSID | DTXSID70201229 |
| Lokaler Name | 2-Brom-6-methylpyridin |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 74,9 |
| Siedepunkt | 102-103 °C/20 mmHg (lit.) |
| Dichte | 1.512 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.562(lit.) |
| Flammpunkt | 207 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform, Ethyl AceateSoluble in chloroform, ethyl aceate. Not miscible or difficult to mix with water. |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 1.51±0.10(Predicted) |
| Wichte | 1.512 |
| Farbe | Clear colorless to yellow |
| BRN | 107322 |
| InChI | InChI=1S/C6H6BrN/c1-5-3-2-4-6(7)8-5/h2-4H,1H3 |
| InChIKey | SOHDPICLICFSOP-UHFFFAOYSA-N |
| SMILES | C1(Br)=NC(C)=CC=C1 |
| CAS Datenbank | 5315-25-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (11.8%): 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 51 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (11.8%) |
| CSL Reaction Information | CSL000763-CHLOROPEROXYBENZOIC ACID + 2-BROMO-6-METHYLPYRIDINEexploded on the rotovap after work upExplosiveUser-Reported7/8/18 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29333990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2-Bromo-6-methylpyridine is a halogenated pyridine derivative used is a building block in the preparation of nitrogen containing heterocyclic compounds.