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| | 5-Methyl-3-phenylisoxazole-4-carboxylic acid Basic information |
| | 5-Methyl-3-phenylisoxazole-4-carboxylic acid 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) | | EPA Substance Registry System | 4-Isoxazolecarboxylic acid, 5-methyl-3-phenyl- (1136-45-4) |
| 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 |
| | 5-Methyl-3-phenylisoxazole-4-carboxylic acid Usage And Synthesis |
| Chemical Properties | Cream to pale brown solid | | Uses | 5-Methyl-3-phenylisoxazole-4-carboxylic acid was used in preparation of intermediates for the synthesis of penicillin. It was used for acylation during solid support synthesis of the isoxazolopyridone derivatives. |
| | 5-Methyl-3-phenylisoxazole-4-carboxylic acid Preparation Products And Raw materials |
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