5-Phenylisoxazole-3-carboxylic acid
- Product Name5-Phenylisoxazole-3-carboxylic acid
- CAS14441-90-8
- CBNumberCB3449446
- MFC10H7NO3
- MW189.17
- MDL NumberMFCD00464221
- MOL File14441-90-8.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 160-164 °C(lit.) |
| Boiling point | 434.7±33.0 °C(Predicted) |
| Density | 1.320 |
| storage temp. | 2-8°C |
| solubility | soluble in Methanol |
| pka | 3.33±0.10(Predicted) |
| form | Crystalline |
| color | White |
| InChI | InChI=1S/C10H7NO3/c12-10(13)8-6-9(14-11-8)7-4-2-1-3-5-7/h1-6H,(H,12,13) |
| InChIKey | XJYOBHXWBRKOQO-UHFFFAOYSA-N |
| SMILES | O1C(C2=CC=CC=C2)=CC(C(O)=O)=N1 |
| CAS DataBase Reference | 14441-90-8(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
Safety
| Symbol(GHS) |
 
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| Signal word | Danger | |||||||||
| Hazard statements | H302-H315-H317-H319-H334-H335 | |||||||||
| Precautionary statements | P280-P301+P312+P330-P302+P352-P305+P351+P338 | |||||||||
| Hazard Codes | Xn,Xi | |||||||||
| Risk Statements | 22-36/37/38-42/43 | |||||||||
| Safety Statements | 26-36-45 | |||||||||
| WGK Germany | 2 | |||||||||
| HazardClass | IRRITANT | |||||||||
| HS Code | 2934999090 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Resp. Sens. 1 Skin Irrit. 2 Skin Sens. 1 STOT SE 3 | |||||||||
| NFPA 704: |
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