5-Methyl-3-phenylisoxazole-4-carboxylic acid
- Product Name5-Methyl-3-phenylisoxazole-4-carboxylic acid
- CAS1136-45-4
- CBNumberCB0459352
- MFC11H9NO3
- MW203.19
- EINECS214-497-9
- MDL NumberMFCD00003153
- MOL File1136-45-4.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 192-194 °C(lit.) |
| Boiling point | 341.49°C (rough estimate) |
| Density | 1.2621 (rough estimate) |
| refractive index | 1.4950 (estimate) |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Very Slightly) |
| pka | 2.11±0.32(Predicted) |
| form | Solid |
| color | White to Off-White |
| BRN | 164939 |
| InChI | 1S/C11H9NO3/c1-7-9(11(13)14)10(12-15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14) |
| InChIKey | PENHKTNQUJMHIR-UHFFFAOYSA-N |
| SMILES | Cc1onc(-c2ccccc2)c1C(O)=O |
| CAS DataBase Reference | 1136-45-4(CAS DataBase Reference) |
| FDA UNII | ZL8HD4RP5B |
| EPA Substance Registry System | 4-Isoxazolecarboxylic acid, 5-methyl-3-phenyl- (1136-45-4) |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H302-H313 | |||||||||
| Precautionary statements | P264-P270-P301+P312a-P330-P501a | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 22 | |||||||||
| Safety Statements | 24/25-36/37-22 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | NY2750000 | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | IRRITANT | |||||||||
| HS Code | 2934990002 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| NFPA 704: |
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