Introduction：Basic information about 6-CHLOROQUINOLINE CAS 612-57-7, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
6-CHLOROQUINOLINE Basic information
| Product Name: | 6-CHLOROQUINOLINE |
| Synonyms: | 6-chloro-quinolin;6-CHLOROQUINOLINE;AKOS 100;6-Chloroquinoline,99%;6- chlorinequinoline;Quinoline, 6-chloro-;6-Chloroquinoline >6-CHLOROQUINOLINE ISO 9001：2015 REACH |
| CAS: | 612-57-7 |
| MF: | C9H6ClN |
| MW: | 163.6 |
| EINECS: | 210-314-1 |
| Product Categories: | Quinoline&Isoquinoline;API intermediates;Haloquinolines;Quinolines;Building Blocks;Halogenated Heterocycles;Heterocyclic Building Blocks;QuinolinesHeterocyclic Building Blocks |
| Mol File: | 612-57-7.mol |
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6-CHLOROQUINOLINE Chemical Properties
| Melting point | 41-43 °C (lit.) |
| Boiling point | 126-127 °C/10 mmHg (lit.) |
| density | 1.2108 (rough estimate) |
| refractive index | 1.6110 (estimate) |
| Fp | >230 °F |
| storage temp. | Inert atmosphere,Room Temperature |
| pka | 4.18±0.10(Predicted) |
| form | powder to lump |
| color | White to Light yellow to Light orange |
| Water Solubility | Insoluble in water. |
| BRN | 112963 |
| InChI | 1S/C9H6ClN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H |
| InChIKey | GKJSZXGYFJBYRQ-UHFFFAOYSA-N |
| SMILES | Clc1ccc2ncccc2c1 |
| CAS DataBase Reference | 612-57-7(CAS DataBase Reference) |
| NIST Chemistry Reference | Quinoline, 6-chloro-,(612-57-7) |
| EPA Substance Registry System | Quinoline, 6-chloro- (612-57-7) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-37/39 |
| WGK Germany | 3 |
| TSCA | TSCA listed |
| HS Code | 29334900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
6-CHLOROQUINOLINE Usage And Synthesis
| Chemical Properties | beige to brown crystals |
| Uses | 6-chloroquinoline is a useful research chemical. |
| Uses | 6-Chloroquinoline may be used in the synthesis of 3-methyl-3H-imidazo[4,5-f]quinolin-2-amine. It may be used as catalyst for high yield preparation of ethoxycarbonyl isothiocyanate. |
| Preparation | All the reactions were carried out in a 50 mL stainless steel autoclave . A mixture of glycerol (1 g, 1 equiv.), aniline (0.58 g, 0.5 equiv.), water (2.5 mL) and W-KIT-6 (100 mg) was charged in to the autoclave simultaneously and finally heated to 200 °C with stirring for 3 h. On completion of the reaction (monitored by TLC), the autoclave was cooled to room temperature and the catalyst was removed by filtration. Ethyl acetate (10 mL) and water (5 mL) were added to the reaction mixture and stirred well for few minutes. The organic layer was dried over anhydrous Na2SO4 and the crude was purified by column chromatography using 60-120 mesh silica with ethylacetate/hexane as eluent to afford 6-chloroquinoline in good yield. |
| General Description | The standard molar enthalpy of formation of 6-chloroquinoline has been derived from the standard molar enthalpy of combustion and was evaluated in terms of molecular structure. Its arylation reaction with diamine derivatives of adamantanes in the presence of palladium catalyst has been reported to afford N,N′-diaryl derivatives. |
6-CHLOROQUINOLINE Preparation Products And Raw materials
| Preparation Products | 6-NITROQUINOLINE-->6-Hydroxyquinoline-->3-Bromo-2,6-dichloro-quinoline-->6-phenylquinoline |
