HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Bromo-3-methylpyridine
4-Bromo-5-methylpyridine · 4-Bromo-3-methylpyridine HCl · 4-BROMO-3-PICOLINE · CHEMBRDG-BB 4014100 · 4-bromo-3-picoline HCI · 4-BROMO-3-METHYLPYRIDINE · Pyridine,4-bromo-3-methyl- · 4-Bromo-3-methylpyridine HCl 4-Bromo-3-methylpyridine HCl salt
Identifikatoren & physikalische Daten
| CAS No. | 10168-00-0 |
|---|---|
| Summenformel | C6H6BrN |
| Durchschnittliche Molmasse | 172,02 g/mol |
| Monoisotopische Masse | 170,96836129 g/mol |
| SMILES | Cc1cnccc1Br |
| InChIKey | GYUAOSJIGMDMNJ-UHFFFAOYSA-N |
| PubChem CID | 428351 |
| EC No. | 818-271-6 |
| DTXSID | DTXSID60330259 |
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 |
| Siedepunkt | 211 ºC |
| Dichte | 1.494 |
| Flammpunkt | 82 ºC |
| Lagerbedingungen | Keep Cold |
| pKa (Säurekonstante) | 3.58±0.10(Predicted) |
| InChI | InChI=1S/C6H6BrN/c1-5-4-8-3-2-6(5)7/h2-4H,1H3 |
| InChIKey | GYUAOSJIGMDMNJ-UHFFFAOYSA-N |
| SMILES | C1=NC=CC(Br)=C1C |
| CAS Datenbank | 10168-00-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Gefahrensymbole | Xi |
Anwendungen & Verwendung
Verwenden
4-Bromo-3-methylpyridine can be used in organic synthetic materials. Its derivatives are also used as antimicrobial compounds.