HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Bromo-5-methylpyridine
3-brmo-5-me · 3-Bromo-5-methyL · 5-BROMO-3-PICOLINE · 3-BROMO-5-METHYLPY... · 3-brmo-5-methylpyridine · 3-methy-5-bromopyridine · 3-BROMO-5-METHYLPYRIDINE · 3-Methyl-5-Bromopyridine
Identifikatoren & physikalische Daten
| CAS No. | 3430-16-8 |
|---|---|
| Summenformel | C6H6BrN |
| Durchschnittliche Molmasse | 172,02 g/mol |
| Monoisotopische Masse | 170,96836129 g/mol |
| SMILES | Cc1cncc(Br)c1 |
| InChIKey | ADCLTLQMVAEBLB-UHFFFAOYSA-N |
| PubChem CID | 817713 |
| EC No. | 630-960-1 |
| DTXSID | DTXSID40355844 |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| 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 |
| Schmelzpunkt | 16.5-16.7 °C |
| Siedepunkt | 110°C/25mmHg(lit.) |
| Dichte | 1.4869 g/mL at 25 °C |
| Brechungsindex | 1.5618 |
| Flammpunkt | 91 °C |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 3.16±0.20(Predicted) |
| Aggregatzustand | powder to lump to clear liquid |
| Farbe | White or Colorless to Almost white or Almost colorless |
| InChI | 1S/C6H6BrN/c1-5-2-6(7)4-8-3-5/h2-4H,1H3 |
| InChIKey | ADCLTLQMVAEBLB-UHFFFAOYSA-N |
| SMILES | Cc1cncc(Br)c1 |
| CAS Datenbank | 3430-16-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | NA 1993 / PGIII |
| Zollcode | 2933399990 |
| R-Sätze (R) | 36/37/38-41-22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36/37/39-39 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Dam. 1 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
5-Bromo-3-picoline is an intermediate of pyridinyl pyrrole compounds as proton pump inhibitors with improved gastric acid secretion suppressive activity