HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Chlor-2-methylchinolin
Compound Fr13648 · AKOS BBS-00000956 · 4-CHLOROQUINALDINE · TIMTEC-BB SBB005362 · Quinaldine, 4-chloro- · 4-Chloroquinaldine 99% · 2-Methyl-4-chloroquinoline · 4-Chloro-2-methylquinoline
Identifikatoren & physikalische Daten
| CAS No. | 4295-06-1 |
|---|---|
| Summenformel | C10H8ClN |
| Durchschnittliche Molmasse | 177,63 g/mol |
| Monoisotopische Masse | 177,03452694 g/mol |
| SMILES | Cc1cc(Cl)c2ccccc2n1 |
| InChIKey | HQAIROMRVBVWSK-UHFFFAOYSA-N |
| PubChem CID | 77973 |
| ChEMBL | CHEMBL1619469 |
| EC No. | 224-300-8 |
| DTXSID | DTXSID10195572 |
| Lokaler Name | 4-Chlor-2-methylchinolin |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 160 |
| Schmelzpunkt | 39 °C |
| Siedepunkt | 269-270 °C (lit.) |
| Dichte | 0.881 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.622(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Aggregatzustand | powder to lump to clear liquid |
| pKa (Säurekonstante) | 4.40±0.50(Predicted) |
| Farbe | White or Colorless to Yellow |
| Löslichkeit | Slightly soluble in water. |
| BRN | 3522 |
| InChI | InChI=1S/C10H8ClN/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h2-6H,1H3 |
| InChIKey | HQAIROMRVBVWSK-UHFFFAOYSA-N |
| SMILES | N1C2C(=CC=CC=2)C(Cl)=CC=1C |
| CAS Datenbank | 4295-06-1(CAS DataBase Reference) |
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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2933499090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
4-Chloroquinaldine is used in the preparation of 4-phenyl-hydrazinoquinaldine