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1,7-Phenanthroline
PHENANTHROLINE · M-PHENANTHROLINE · NSC 35679 · AKOS 90061 · 1,7-PHENANTHROLINE · 4,10-Phenanthroline · 1,5-Diazaphenanthrene · 1,7-Phenanthroline 99%
Identifikatoren & physikalische Daten
| CAS No. | 12678-01-2 |
|---|---|
| Summenformel | C12H8N2 |
| Durchschnittliche Molmasse | 180,2 g/mol |
| Monoisotopische Masse | 180,06874826 g/mol |
| SMILES | c1cnc2c(c1)ccc1ncccc12 |
| InChIKey | OZKOMUDCMCEDTM-UHFFFAOYSA-N |
| PubChem CID | 67473 |
| ChEMBL | CHEMBL1529707 |
| ChEBI | CHEBI:36418 |
| EC No. | 625-267-6 |
| DTXSID | DTXSID50870492 |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 204 |
| Polymers | Other Classes -> Polycyclic Aromatic Hydrocarbons |
| SpringerMaterials Properties | Angular frequency |
| LogP (Verteilungskoeffizient) | 1.93 |
| Löslichkeit | >27 [ug/mL] (The mean of the results at pH 7.4)It is soluble in water, ethanol, ether and benzene. |
| Dampfdruck | 0.0000326 [mmHg] |
| Physical Description | Tan crystalline powder[MSDSonline] |
| Schmelzpunkt | 79-81 °C (lit.) |
| Siedepunkt | 303.03°C (rough estimate) |
| Dichte | 1.1836 (rough estimate) |
| Brechungsindex | 1.5200 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | pK1:4.30(+1) (25°C) |
| Farbe | White to beige |
| InChI | 1S/C12H8N2/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1/h1-8H |
| InChIKey | OZKOMUDCMCEDTM-UHFFFAOYSA-N |
| SMILES | c1cnc2c(c1)ccc3ncccc23 |
| CAS Datenbank | 230-46-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (90.9%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P264+P265, P270, P273, P280, P301+P316, P305+P354+P338, P317, P321, P330, P391, P405, and P501 (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. |
|---|---|
| Gefahrenübersicht | Toxic by ingestionAn irritant[MSDSonline] See POLYCYCLIC AROMATIC HYDROCARBONS. |
| Hazard Classes and Categories | Acute Tox. 3 (90.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2811 6.1/PG 3 |
| Zollcode | 29339980 |
| R-Sätze (R) | 22-41-50/53-25 |
| Gefahrensymbole | Xn,N,T |
| Sicherheitshinweise (S) | 26-36/39-61-60-45-39 |
| Gefahrenklasse | 6.1Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
1,7-Phenanthroline acts as an inhibitor of germination and growth of plants. it can be used to produce [1,7]phenanthroline-8-carbonitrile with hydrocyanic acid; potassium salt at temperature. It is also used as an intermediate and chemical research.