HuagongsheHuagongshe Chemistry Print Report · For research reference only
Quinoline, 1,2,3,4-tetrahydro-6-methoxy-
Thallin · AKOS BB-9796 · TIMTEC-BB SBB002326 · SALOR-INT L308625-1EA · Debrisoquine Impurity 11 · 6-METHOXY-1,2,3,4-TETRAHYDROQUINOLINE · Quinoline l,2,3,4-tetrahydro-6-methoxy · Quinoline, 1,2,3,4-tetrahydro-6-methoxy-
Identifiers & Physical Properties
| CAS No. | 120-15-0 |
|---|---|
| Molecular formula | C10H13NO |
| Average molar mass | 163.22 g/mol |
| Monoisotopic mass | 163.09971404 g/mol |
| SMILES | COc1ccc2c(c1)CCCN2 |
| InChIKey | FRXSZNDVFUDTIR-UHFFFAOYSA-N |
| PubChem CID | 67113 |
| EC No. | 204-374-8 |
| DTXSID | DTXSID3059505 |
Chemical & Physical Properties
| XLogP | 2.3 |
|---|---|
| Topological polar surface area | 21.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 149 |
| Melting point | 37-41 °C (lit.) |
| Boiling point | 290.31°C (rough estimate) |
| Density | 1.0508 (rough estimate) |
| Refractive index | 1.5718 (estimate) |
| RTECS number | VC2940000 |
| Flash point | >230 °F |
| Storage conditions | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (acidity coefficient) | 5.95±0.20(Predicted) |
| InChI | 1S/C10H13NO/c1-12-9-4-5-10-8(7-9)3-2-6-11-10/h4-5,7,11H,2-3,6H2,1H3 |
| InChIKey | FRXSZNDVFUDTIR-UHFFFAOYSA-N |
| SMILES | COc1ccc2NCCCc2c1 |
| CAS DataBase Reference | 120-15-0(CAS DataBase Reference) |
| FDA UNII | EA6AYU7Y78 |
| EPA Substance Registry System | Quinoline, 1,2,3,4-tetrahydro-6-methoxy- (120-15-0) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338-P280a-P304+P340-P405-P501a |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36/37 |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| Hazard class | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Customs code | 2933499090 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| Customs code | 2933499090 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36/37 |
| Hazard class | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338-P280a-P304+P340-P405-P501a |
Applications & Uses
Uses
1,2,3,4-Tetrahydro-6-methoxyquinoline is used as chemical reagents, organic intermediates, fine chemicals, pharmaceutical research and development.