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3-Brompyridin
3-BROMOPYRIDINE · 3-Pvridyl bromide · Pyridine, 3-bromo- · NSC 3974 · AURORA KA-875 · 3-bromo-pyridin · M-BroMopyridine · 5-BROMO PYRIDINE
Identifikatoren & physikalische Daten
| CAS No. | 626-55-1 |
|---|---|
| Summenformel | C5H4BrN |
| Durchschnittliche Molmasse | 158 g/mol |
| Monoisotopische Masse | 156,95271123 g/mol |
| SMILES | Brc1cccnc1 |
| InChIKey | NYPYPOZNGOXYSU-UHFFFAOYSA-N |
| PubChem CID | 12286 |
| ChEMBL | CHEMBL5396433 |
| ChEBI | CHEBI:51575 |
| EC No. | 210-952-0 |
| DTXSID | DTXSID9060819 |
| Lokaler Name | 3-Brompyridin |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 56 |
| Stoffklassen | Nitrogen Compounds -> Pyridines |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 1.5 |
| Flammpunkt | 51 °C125 °F |
| Dampfdruck | 1.75 [mmHg]1.64hPa at 25℃ |
| Physical Description | Needles[Hawley] Colorless liquid[MSDSonline] |
| Schmelzpunkt | -27°C |
| Siedepunkt | 173 °C (lit.) |
| Dichte | 1.64 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.571(lit.) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| Löslichkeit | 31g/lSoluble in water (31 g/L at 20°C). |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 2.84(at 25℃) |
| Wichte | 1.617 |
| Farbe | Clear colorless to yellow or slightly brown |
| BRN | 105880 |
| Henry-Konstante | 8.3×10-1 mol/(m3Pa) at 25℃, Ebert et al. (2023) |
| Dielektrizitätskonstante | 9.8499999999999996 |
| InChI | 1S/C5H4BrN/c6-5-2-1-3-7-4-5/h1-4H |
| InChIKey | NYPYPOZNGOXYSU-UHFFFAOYSA-N |
| SMILES | Brc1cccnc1 |
| LogP (Verteilungskoeffizient) | 1.694 |
| CAS Datenbank | 626-55-1(CAS DataBase Reference) |
| NIST chemische Informationen | Pyridine, 3-bromo-(626-55-1) |
| EPA chemische Informationen | 3-Bromopyridine (626-55-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (93.3%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 60 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Pyridine, 3-bromo-Status: Active Update: 03-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/198673-Bromopyridine: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin, eye, and respiratory tract irritant[MSDSonline] Pyridine compounds are potential CNS depressants[Ullmann] See Pyridine. |
| Hazard Classes and Categories | Flam. Liq. 3 (93.3%) |
| Unerwünschte Wirkungen | Neurotoxin - Other CNS neurotoxin |
| F | 8 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29333999 |
| R-Sätze (R) | 10-22-36/37/38-23/24/25-20/21/22 |
| Gefahrensymbole | Xn,T,F,Xi |
| hazard_note | Toxic/Flammable/Irritant |
| Sicherheitshinweise (S) | 26-45-38-36/37/39-28A-16 |
| Gefahrenklasse | 6.1Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Pyridine as novel substrate for regioselective oxygenation with aromatic peroxygenase from Agrocybe aegerita.