3-Phenyl-5-isoxazolecarboxylic acid
- Product Name3-Phenyl-5-isoxazolecarboxylic acid
- CAS14442-12-7
- CBNumberCB7285253
- MFC10H7NO3
- MW189.17
- MDL NumberMFCD01936010
- MOL File14442-12-7.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 159-163 °C(lit.) |
| Boiling point | 200°C |
| Density | 1.320±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | soluble in Methanol |
| form | powder to crystal |
| pka | 2.23±0.10(Predicted) |
| color | White to Yellow to Green |
| Sensitive | Moisture & Light Sensitive |
| InChI | 1S/C10H7NO3/c12-10(13)9-6-8(11-14-9)7-4-2-1-3-5-7/h1-6H,(H,12,13) |
| InChIKey | YGTFDJRCCBKLDM-UHFFFAOYSA-N |
| SMILES | OC(=O)c1cc(no1)-c2ccccc2 |
| CAS DataBase Reference | 14442-12-7(CAS DataBase Reference) |
| Comptox DTXSID | DTXSID00353245 |
| 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 | |||||||||
| Hazard Codes | Xi | |||||||||
| WGK Germany | 3 | |||||||||
| HazardClass | IRRITANT | |||||||||
| HS Code | 2934999090 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| NFPA 704: |
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