HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Benzylpyridin
ba33216 · Ba 33216 · -BenzylPyridine · g-Benzylpyridine · 4-benzyl-pyridin · 4-BENZYLPYRIDINE · Pyridine, 4-benzyl- · 4-Benzylpyridine,97%
Identifikatoren & physikalische Daten
| CAS No. | 2116-65-6 |
|---|---|
| Summenformel | C12H11N |
| Durchschnittliche Molmasse | 169,22 g/mol |
| Monoisotopische Masse | 169,08914935 g/mol |
| SMILES | c1ccc(Cc2ccncc2)cc1 |
| InChIKey | DBOLXXRVIFGDTI-UHFFFAOYSA-N |
| PubChem CID | 16458 |
| ChEMBL | CHEMBL357322 |
| EC No. | 218-319-0 |
| DTXSID | DTXSID5062188 |
| Lokaler Name | 4-Benzylpyridin |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 132 |
| SpringerMaterials Properties | Chemical shift |
| LogP (Verteilungskoeffizient) | 2.62 |
| Schmelzpunkt | 9-11 °C |
| Siedepunkt | 287 °C (lit.) |
| Dichte | 1.061 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.582(lit.) |
| Flammpunkt | 239 °F |
| Lagerbedingungen | Indoors |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)Soluble in ethanol, ethyl ether. Insoluble in water. |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 5.75±0.10(Predicted) |
| Farbe | yellow |
| pH | 8 (H2O, 20℃) |
| BRN | 115831 |
| InChI | 1S/C12H11N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-9H,10H2 |
| InChIKey | DBOLXXRVIFGDTI-UHFFFAOYSA-N |
| SMILES | C(c1ccccc1)c2ccncc2 |
| LogP (Verteilungskoeffizient) | 2.620 |
| CAS Datenbank | 2116-65-6(CAS DataBase Reference) |
| NIST chemische Informationen | Pyridine, 4-(phenylmethyl)-(2116-65-6) |
| EPA chemische Informationen | Pyridine, 4-(phenylmethyl)- (2116-65-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (91.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 4-Benzylpyridine: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (91.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29333999 |
| RTECS-Nr. | US2625000 |
| R-Sätze (R) | 22-36/37/38 |
| Toxizität | LD50 ivn-mus: 25 mg/kg CSLNX* NX#12240orl-bwd LD50:18 mg/kg TXAPA9 21,315,72 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
4-Benzylpyridine is an important raw material and intermediate used in organic synthesis, pharmaceuticals, dyes and agrochemicals.It is the key raw material for the synthesis of Ifenprodil hemitartrate.
Herstellung & Synthese
synthetische
4-Benzylpyridine is synthesized from benzyl chloride and pyridine.