3,4-Dihydroquinolin-2(1H)-one
- Product Name3,4-Dihydroquinolin-2(1H)-one
- CAS553-03-7
- CBNumberCB5772351
- MFC9H9NO
- MW147.17
- EINECS621-863-5
- MDL NumberMFCD00016722
- MOL File553-03-7.mol
Chemical Properties
| 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
| Symbol(GHS) |
  GHS07,GHS06 |
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| Signal word | Warning | |||||||||
| Hazard statements | H301-H302-H315-H317-H319-H335 | |||||||||
| Precautionary statements | P280a-P301+P310a-P405-P501a-P261-P280-P305+P351+P338 | |||||||||
| target organs | Respiratory system | |||||||||
| Hazard Codes | Xn,Xi | |||||||||
| Risk Statements | 22-36/37/38-43 | |||||||||
| Safety Statements | 26-36/37 | |||||||||
| RIDADR | 2811 | |||||||||
| WGK Germany | 2 | |||||||||
| Hazard Note | Irritant | |||||||||
| HazardClass | 6.1(b) | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 2933790090 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications |
Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 Skin Sens. 1 STOT SE 3 |
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| NFPA 704: |
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