HuagongsheHuagongshe Chemistry Print Report · For research reference only
8-Methoxyquinoline
8-Methoxyquinoline · methyl8-quinolylether · 8-Methoxyquinoline>Quinoline, 8-methoxy- · 8-Methoxyquinoline,96% · 8-METHOXYQUINOLINE ISO 9001:2015 REACH

Identifiers & Physical Properties
| CAS No. | 938-33-0 |
|---|---|
| Molecular formula | C10H9NO |
| Average molar mass | 159.18 g/mol |
| Monoisotopic mass | 159.06841391 g/mol |
| SMILES | COc1cccc2cccnc12 |
| InChIKey | ZLKGGEBOALGXJZ-UHFFFAOYSA-N |
| PubChem CID | 70310 |
| ChEMBL | CHEMBL300509 |
| EC No. | 213-341-7 |
| DTXSID | DTXSID00239656 |
Chemical & Physical Properties
| XLogP | 1.8 |
|---|---|
| Topological polar surface area | 22.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 149 |
| Kovats Retention Index | 1524259.8 |
| Melting point | 38-41℃ |
| Boiling point | 282°C(lit.) |
| Density | 1.0340 |
| Refractive index | 1.6070 (estimate) |
| Storage conditions | 2-8°C |
| Physical state | powder to crystal |
| pKa (acidity coefficient) | 3.28±0.17(Predicted) |
| Color | White to Orange to Green |
| Solubility | Slightly soluble in water. |
| InChI | InChI=1S/C10H9NO/c1-12-9-6-2-4-8-5-3-7-11-10(8)9/h2-7H,1H3 |
| InChIKey | ZLKGGEBOALGXJZ-UHFFFAOYSA-N |
| SMILES | N1C2C(=CC=CC=2OC)C=CC=1 |
| FDA UNII | 4Y56U1UNUJ |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P271-P280 |
| Customs code | 2933499090 |
Safety & Regulations
| GHS classification | DangerH301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (33.3%)Acute Tox. 4 (33.3%)Acute Tox. 4 (66.7%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (66.7%) |
| Customs code | 2933499090 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P271-P280 |
Applications & Uses
Uses
8-Methoxyquinoline is used as pharmaceutical intermediate.