3-Hydroxyisoquinoline
ALDRICH/368954 - 99%
Synonym: 3-Isoquinolinol
CAS Number: 7651-81-2
Empirical Formula (Hill Notation): C9H7NO
Molecular Weight: 145.16
MDL Number: MFCD00075524
Linear Formula: C9H7NO
Product Type: Chemical
| assay | 99% |
| form | solid |
| InChI | 1S/C9H7NO/c11-9-5-7-3-1-2 |
| InChI key | GYPOFOQUZZUVQL-UHFFFAOYSA |
| mp | 192-194 °C (lit.) |
| SMILES string | Oc1cc2ccccc2cn1 |
| General description: | Two excited state proton transfer mechanisms of 3-hydroxyisoquinoline (3HIQ) in cyclohexane and acetic acid has been investigated by time-dependent density functional theory (TDDFT). Spectral and photo physical properties of 3-HIQ in various protic/aprotic solvents were studied. Phototautomerization of 3-HIQ has been reported. Oxo-hydroxy tautomerism and phototautomerism of 3-HIQ has been studied using the matrix-isolation technique. |
| Packaging: | 1 g in glass bottle |
| Symbol |   GHS05,GHS07 |
| Signal word | Danger |
| Hazard statements | H302 - H318 |
| Precautionary statements | P280 - P305 + P351 + P338 |
| Hazard Codes | Xn |
| Risk Statements | 22-41 |
| Safety Statements | 26-37/39 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| Purity | 99% |
| mp | 192-194 °C (lit.) |
| UNSPSC | 12352100 |