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2-Benzylpyridin
CDD 3529 · NSC 4033 · NSC 241072 · 2-benzyl-pyridin · 2-BENZYLPYRIDINE · AKOS BBS-00004383 · Pyridine, 2-benzyl- · 2-Benzylpyridine >2-Benzylpyridine, 98+%
Identifikatoren & physikalische Daten
| CAS No. | 101-82-6 |
|---|---|
| Summenformel | C12H11N |
| Durchschnittliche Molmasse | 169,22 g/mol |
| Monoisotopische Masse | 169,08914935 g/mol |
| SMILES | c1ccc(Cc2ccccn2)cc1 |
| InChIKey | PCFUWBOSXMKGIP-UHFFFAOYSA-N |
| PubChem CID | 7581 |
| ChEMBL | CHEMBL3248606 |
| EC No. | 202-979-1 |
| DTXSID | DTXSID5059240 |
| Lokaler Name | 2-Benzylpyridin |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 138 |
| SpringerMaterials Properties | Optical coefficient |
| Schmelzpunkt | 8-10 °C (lit.) |
| Siedepunkt | 276 °C (lit.) |
| Dichte | 1.054 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.579(lit.) |
| Flammpunkt | 257 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)insoluble |
| Aggregatzustand | liquid |
| pKa (Säurekonstante) | 5.13(at 25℃) |
| Farbe | yellow |
| BRN | 115875 |
| InChI | 1S/C12H11N/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-9H,10H2 |
| InChIKey | PCFUWBOSXMKGIP-UHFFFAOYSA-N |
| SMILES | C(c1ccccc1)c2ccccn2 |
| LogP (Verteilungskoeffizient) | 2.570 (est) |
| CAS Datenbank | 101-82-6(CAS DataBase Reference) |
| NIST chemische Informationen | Pyridine, 2-(phenylmethyl)-(101-82-6) |
| EPA chemische Informationen | Pyridine, 2-(phenylmethyl)- (101-82-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Pyridine, 2-(phenylmethyl)-Pyridine, 2-(phenylmethyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (11.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2810 |
| Zollcode | 29333999 |
| RTECS-Nr. | US2620000 |
| R-Sätze (R) | 36-36/37/38-22 |
| Toxizität | LD50 scu-mus: 1500 mg/kg AEPPAE 227,129,55 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2-Benzylpyridine is a benzylpyridine with antifungal properties. 2-Benzylpyridine is also used as a chromogenic reagent for micro determination of Molybednum.