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Benzo[h]chinolin
BENZO[H]QUINOLINE · 4-AZAPHENANTHRENE · A-NAPHTHOQUINOLINE · ALPHA-NAPHTHOQUINOLINE · 7,8-BenzoquinoL · 7,S-Benzochinolin · 1-NAPHTHOQUINOLINE · 7,8-BENZOQUINOLINE
![Molekülstruktur von Benzo[h]chinolin](/img/chemical/9191.png)
Identifikatoren & physikalische Daten
| CAS No. | 230-27-3 |
|---|---|
| Summenformel | C13H9N |
| Durchschnittliche Molmasse | 179,22 g/mol |
| Monoisotopische Masse | 179,07349929 g/mol |
| SMILES | c1ccc2c(c1)ccc1cccnc12 |
| InChIKey | WZJYKHNJTSNBHV-UHFFFAOYSA-N |
| PubChem CID | 9191 |
| ChEMBL | CHEMBL2227835 |
| EC No. | 205-937-0 |
| DTXSID | DTXSID1075199 |
| Lokaler Name | Benzo[h]chinolin |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 201 |
| Stoffklassen | Nitrogen Compounds -> Quinolines |
| SpringerMaterials Properties | Angular frequency |
| LogP (Verteilungskoeffizient) | 3.25 |
| Dampfdruck | 0.000218 [mmHg] |
| Physical Description | Dark yellow crystalline solid[Sigma-Aldrich MSDS] |
| Ionization Efficiency | Positive4.12.7Agilent XCTElectrospray ionizationformic acid (5.3nM) |
| Schmelzpunkt | 48-50 °C(lit.) |
| Siedepunkt | 338 °C719 mm Hg(lit.) |
| Dichte | 1.2340 |
| Brechungsindex | 1.7270 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | almost transparency in Methanol |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | pK1: 4.15(+1) (20°C) |
| Farbe | Off-white to brown |
| BRN | 120249 |
| InChI | InChI=1S/C13H9N/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12/h1-9H |
| InChIKey | WZJYKHNJTSNBHV-UHFFFAOYSA-N |
| SMILES | N1C2C(=CC=C3C=CC=CC3=2)C=CC=1 |
| CAS Datenbank | 230-27-3(CAS DataBase Reference) |
| NIST chemische Informationen | Benzo[h]quinoline(230-27-3) |
| EPA chemische Informationen | Benzo[h]quinoline (230-27-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Gefahrenübersicht | May cause irritation[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| RTECS-Nr. | DK1432000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-24/25-36-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Benzo[h]quinoline was used to study the mutagenic activities of benzo[f]quinoline, benzo[h]quinolone and a number of their derivatives in strain TA 100 of Salmonella typhimurium. It was used in determination of nitrogen-containing polynuclear aromatic hydrocarbons in the gaseous products of the thermal degradation of polymers by HPLC- fluorescence detection. It was used as starting reagent for the synthesis of osmium and ruthenium complexes containing an N-heterocyclic carbene ligand.