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4,4'-Dimethyl-2,2'-bipyridyl
dmbpy · 4,4'-DIMETHYL-2,2'-BIPYRIDINE · d-Mebpy · DiMethyl-2,2-dip · 4,4'-Dimethyl-2,2'-dipyridyl · Bipicoline,98% · -2,2'-dipyridyL · 2,2'-DI-4-PICOLYL
Identifikatoren & physikalische Daten
| CAS No. | 1134-35-6 |
|---|---|
| Summenformel | C12H12N2 |
| Durchschnittliche Molmasse | 184,24 g/mol |
| Monoisotopische Masse | 184,10004838 g/mol |
| SMILES | Cc1ccnc(-c2cc(C)ccn2)c1 |
| InChIKey | NBPGPQJFYXNFKN-UHFFFAOYSA-N |
| PubChem CID | 14338 |
| ChEMBL | CHEMBL101165 |
| EC No. | 214-483-2 |
| DTXSID | DTXSID3061552 |
| Lokaler Name | 4,4'-Dimethyl-2,2'-bipyridyl |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 161 |
| Stoffklassen | Nitrogen Compounds -> Pyridines |
| Physical Description | White to pale orange crystalline powder[Alfa Aesar MSDS] |
| Schmelzpunkt | 169-174 °C(lit.) |
| Siedepunkt | 308.2°C (rough estimate) |
| Dichte | 1.1160 (rough estimate) |
| Brechungsindex | 1.6266 (estimate) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chlorofrom (Slightly), DMSO (Slightly)Soluble in ethanol, acetic acid, benzene, toluene. Highly soluble in water at pH < 2. |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 5.10±0.30(Predicted) |
| Farbe | Beige |
| BRN | 128995 |
| InChI | 1S/C12H12N2/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12/h3-8H,1-2H3 |
| InChIKey | NBPGPQJFYXNFKN-UHFFFAOYSA-N |
| SMILES | Cc1ccnc(c1)-c2cc(C)ccn2 |
| CAS Datenbank | 1134-35-6(CAS DataBase Reference) |
| NIST chemische Informationen | 2,2'-Bipyridine, 4,4'-dimethyl-(1134-35-6) |
| EPA chemische Informationen | 4,4'-Dimethyl-2,2'-bipyridine (1134-35-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | Intraperitoneal LD50 (mouse) = 78.7 mg/kg[RTECS] A skin and strong eye irritant[Alfa Aesar MSDS] See 4,4'-Bipyridine. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29339900 |
| RTECS-Nr. | DW1765000 |
| R-Sätze (R) | 36/37/38-22 |
| Toxizität | mouse,LD50,intraperitoneal,78700ug/kg (78.7mg/kg),Toxicon. Vol. 23, Pg. 815, 1985. |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
4,4'-Dimethyl-2,2'-bipyridine is used as a chemical Intermediate. It can be used for the determination of ferrous and cyanide compounds.