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2,6-Dibrompyridin
2,4-dibroMo-6-nitropyridine · 2,6-dibromo-pyridin · 2,6-DIBROMOPYRIDINE · Lasmiditan Impurity 46 · Pyridine, 2,6-dibromo- · 2,6-Dibromopyridine,98% · 2,6-Dibromopyridine >2,6-DibroMopyridine, 98% 25GR · 2,6-Dibromopyridine CAS 626-05-1
Identifikatoren & physikalische Daten
| CAS No. | 626-05-1 |
|---|---|
| Summenformel | C5H3Br2N |
| Durchschnittliche Molmasse | 236,89 g/mol |
| Monoisotopische Masse | 234,8632233 g/mol |
| SMILES | Brc1cccc(Br)n1 |
| InChIKey | FEYDZHNIIMENOB-UHFFFAOYSA-N |
| PubChem CID | 12274 |
| EC No. | 210-926-9 |
| DTXSID | DTXSID30211642 |
| Lokaler Name | 2,6-Dibrompyridin |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 68,8 |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| Schmelzpunkt | 117-119 °C (lit.) |
| Siedepunkt | 255°C |
| Dichte | 2.0383 (rough estimate) |
| Brechungsindex | 1.5800 (estimate) |
| Flammpunkt | 213 °C |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)insoluble |
| pKa (Säurekonstante) | -3.65±0.10(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to gray or buff |
| BRN | 108922 |
| InChI | InChI=1S/C5H3Br2N/c6-4-2-1-3-5(7)8-4/h1-3H |
| InChIKey | FEYDZHNIIMENOB-UHFFFAOYSA-N |
| SMILES | C1(Br)=NC(Br)=CC=C1 |
| CAS Datenbank | 626-05-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH300 (96.7%): Fatal if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+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 60 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Pyridine, 2,6-dibromo-Status: Active Update: 25-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/200342,6-Dibromopyridine: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 2 (96.7%) |
| CSL Reaction Information | CSL00134OXYGEN + COPPER(II) CHLORIDE DIHYDRATE + 2,6-DIBROMOPYRIDINE + N-BUTYLLITHIUM + DIETHYL ETHERO2 reacted with the organocopper (or remaining organolithium) reagent to form some peroxides which explodedExplosiveUllmann couplingACS Safety Letters |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2811 |
| Zollcode | 29333999 |
| RTECS-Nr. | US7883000 |
| R-Sätze (R) | 36/37/38-25-20/21-52-28-52/53-36/38 |
| Gefahrensymbole | Xi,T,T+ |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-37/39-45-36/37/39-36-36/37-28-61 |
| Gefahrenklasse | 6.1Acute Tox. 2 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe |
Anwendungen & Verwendung
Beschreibung
2,6-Dibromopyridine is a halogenated pyridine compound used as a pharmaceutical intermediate in the synthesis of the migraine drug (Lasmiditan).Lasmiditan is an oral prescription drug used to treat acute migraine headaches with or without aura. It is important to note that it is not used for migraine prevention.
Verwenden
2,6-Dibromopyridine is used as a tridentate chelating ligand and in the formation of macrocycles containing the terpyridine moiety. It is also used to produce 6-bromo-2-methoxypyridine.