3-Hydroxycoumarin
- Product Name3-Hydroxycoumarin
- CAS939-19-5
- CBNumberCB1188561
- MFC9H6O3
- MW162.14
- EINECS213-355-3
- MDL NumberMFCD00017490
- MOL File939-19-5.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 153-157 °C (lit.) |
| Boiling point | 369.9±42.0 °C(Predicted) |
| Density | 1.446±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMF: 15 mg/ml,DMF:PBS (pH 7.2) (1:4): 0.20 mg/ml,DMSO: 10 mg/ml,Ethanol: 1 mg/ml |
| form | powder to crystal |
| pka | 8.24±0.20(Predicted) |
| color | White to Orange to Green |
| λmax | 307nm(MeOH)(lit.) |
| InChI | 1S/C9H6O3/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5,10H |
| InChIKey | MJKVTPMWOKAVMS-UHFFFAOYSA-N |
| SMILES | OC1=Cc2ccccc2OC1=O |
| LogP | 1.600 (est) |
| CAS DataBase Reference | 939-19-5(CAS DataBase Reference) |
| FDA UNII | RQX0CMD9PN |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H302-H315-H319 | |||||||||
| Precautionary statements | P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330 | |||||||||
| Hazard Codes | Xn,Xi | |||||||||
| Risk Statements | 22-36/37/38 | |||||||||
| Safety Statements | 22-24/25-36-26 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | GN6797000 | |||||||||
| Hazard Note | Irritant | |||||||||
| HS Code | 2932990090 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Acute Tox. 4 Oral | |||||||||
| NFPA 704: |
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