3-(4-Fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid
- Product Name3-(4-Fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid
- CAS1736-21-6
- CBNumberCB1420342
- MFC11H8FNO3
- MW221.18
- MDL NumberMFCD03407356
- MOL File1736-21-6.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 198-202 °C |
| Boiling point | 361.6±37.0 °C(Predicted) |
| Density | 1.350±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | soluble in Methanol |
| form | powder to crystal |
| pka | 2.12±0.25(Predicted) |
| color | White to Almost white |
| Sensitive | Moisture & Light Sensitive |
| InChI | InChI=1S/C11H8FNO3/c1-6-9(11(14)15)10(13-16-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,14,15) |
| InChIKey | PDEGBONVUJDOFN-UHFFFAOYSA-N |
| SMILES | O1C(C)=C(C(O)=O)C(C2=CC=C(F)C=C2)=N1 |
| CAS DataBase Reference | 1736-21-6 |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-36/37/39 | |||||||||
| WGK Germany | 3 | |||||||||
| HS Code | 2934999090 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| NFPA 704: |
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