553-03-7
| Name | 1,2,3,4-Tetrahydroquinolin-2-one |
| CAS | 553-03-7 |
| EINECS(EC#) | 621-863-5 |
| Molecular Formula | C9H9NO |
| MDL Number | MFCD00016722 |
| Molecular Weight | 147.17 |
| MOL File | 553-03-7.mol |
Chemical Properties
| Appearance | Off-white crystalline powder |
| Melting point | 165-167 °C (lit.) |
| Boiling point | 267.28°C (rough estimate) |
| density | 1.1135 (rough estimate) |
| refractive index | 1.5200 (estimate) |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| solubility | DMF: 30 mg/ml,DMSO: 30 mg/ml,DMSO:PBS (pH 7.2) (1:6): 0.14 mg/ml |
| form | Crystalline Powder |
| pka | 14.76±0.20(Predicted) |
| color | Off-white |
| Water Solubility | Slightly soluble in water. |
| Sensitive | Light Sensitive |
| Merck | 13,4800 |
| InChI | InChI=1S/C9H9NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-4H,5-6H2,(H,10,11) |
| InChIKey | TZOYXRMEFDYWDQ-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC=C2)CCC1=O |
| CAS DataBase Reference | 553-03-7(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |   GHS07,GHS06 |
| Signal word | Warning |
| Hazard statements | H301-H302-H315-H317-H319-H335 |
| Precautionary statements | P280a-P301+P310a-P405-P501a-P261-P280-P305+P351+P338 |
| Hazard Codes | Xn,Xi |
| Risk Statements | |
| Safety Statements | |
| RIDADR | 2811 |
| WGK Germany | 2 |
| Hazard Note | Irritant |
| HazardClass | 6.1(b) |
| PackingGroup | III |
| HS Code | 29337900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 Skin Sens. 1 STOT SE 3 |