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Chinaldin
2-METHYLQUINOLINE · 2-Methylchinolin · QuinaL · 2-Quinaldine · 2-Methylpuinoiline · 2-METHYLQUINOLINES · NSC-3397 · Quildine
Identifikatoren & physikalische Daten
| CAS No. | 27601-00-9 |
|---|---|
| Summenformel | C10H9N |
| Durchschnittliche Molmasse | 143,18 g/mol |
| Monoisotopische Masse | 143,07349929 g/mol |
| SMILES | Cc1ccc2ccccc2n1 |
| InChIKey | SMUQFGGVLNAIOZ-UHFFFAOYSA-N |
| PubChem CID | 7060 |
| ChEMBL | CHEMBL194931 |
| ChEBI | CHEBI:132813 |
| EC No. | 202-085-1 |
| DTXSID | DTXSID3040271 |
| Lokaler Name | Chinaldin |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 133 |
| Stoffklassen | Nitrogen Compounds -> Quinolines |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| Duftstoffe | Fragrance Ingredient (2-Methyl quinoline) -> IFRA transparency List |
| LogP (Verteilungskoeffizient) | 2.59 |
| Dichte | 1.0585 at 68 °F (NTP, 1992) - Denser than waterwill sink1.058 g/mL at 25 °C(lit.) |
| Flammpunkt | 175 °F (NTP, 1992) |
| Siedepunkt | 477.7 °F at 760 mmHg (NTP, 1992)246.00 to 248.00 °C. @ 760.00 mm Hg248 °C |
| Schmelzpunkt | 28 °F (NTP, 1992)-1.5 °C-2 °C |
| Dampfdruck | 0.00946 [mmHg]<0.1 hPa (20 °C) |
| Physical Description | Quinaldine appears as a colorless oily liquid darkening to red-brown on exposure to air. Flash point 175 °F. Denser than water and slightly soluble in water. Vapors heavier than air. Produces toxic oxides of nitrogen during combustion. Used to make dyes, pharmaceuticals and other chemicals.Colorless oily liquid with an odor of quinolineTurns reddish-brown on exposure to air[Merck Index] |
| Collision Cross Section | 126.2 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID3040271] |
| Brechungsindex | n20/D 1.612(lit.) |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | chloroform: soluble(lit.)PRACTICALLY INSOLUBLE |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 5.83(at 20℃) |
| Farbe | White to slightly yellow |
| pH | 6.9 (H2O, 20℃)(saturated aqueous solution) |
| Merck | 14,8047 |
| BRN | 110309 |
| Henry-Konstante | 1.4×101 mol/(m3Pa) at 25℃, Ebert et al. (2023) |
| Stabilität | Stable, but may be light sensitive. Combustible. Incompatible with strong oxidizing agents. |
| Hauptanwendungen | forensics and toxicologypharmaceutical (small molecule) |
| InChI | 1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3 |
| InChIKey | SMUQFGGVLNAIOZ-UHFFFAOYSA-N |
| SMILES | Cc1ccc2ccccc2n1 |
| LogP (Verteilungskoeffizient) | 2.59 |
| CAS Datenbank | 91-63-4(CAS DataBase Reference) |
| NIST chemische Informationen | Quinoline, 2-methyl-(91-63-4) |
| EPA chemische Informationen | Quinaldine (91-63-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302+H312 (26.8%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oralacute toxicity, dermal]P203, P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P317, P318, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 392 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H302: Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| Regulatorische Informationen | Chemical: Quinoline, 2-methyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Quinoline, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Quinoline, 2-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 13-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17554Quinaldine: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Quinolines: Human health tier II assessment |
| Brandgefahren | This compound is probably combustible. (NTP, 1992) |
| Gesundheitsgefahren | SYMPTOMS: Acute exposure to this compound will result in irritation to skin and mucous membranes. |
| Gefahrenübersicht | A mild skin irritant[RTECS] A skin and mucous membrane irritant[NTP] A skin and strong eye irritantToxic by ingestion and skin absorption[Alfa Aesar MSDS] See Quinoline. |
| Reaktive Gruppe | Amines, Phosphines, and Pyridines |
| Reactivity Profile | QUINALDINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides. Keep tightly closed and protected from light (NTP, 1992). |
Anwendungen & Verwendung
Beschreibung
2-Methylchinolin bildet eine ölige, farblose, wasserunlösliche Flüssigkeit. Es wird zur Herstellung von Farbstoffen verwendet.
Verwenden
Quinaldine is an anaesthetic used in fish transportation. Also used in anti-malaria drugs, in manufacturing dyes, food colorants , pharmaceuticals and pH indicators.