Introduction：Basic information about CAS 181696-35-5|Valdecoxib Sulfonic Acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Valdecoxib Sulfonic Acid |
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| CAS Number | 181696-35-5 | Molecular Weight | 315.344 |
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| Density | 1.341±0.06 g/cm3 | Boiling Point | / |
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| Molecular Formula | C16H13NO4S | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| Name | Valdecoxib Sulfonic Acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.341±0.06 g/cm3 |
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| Molecular Formula | C16H13NO4S |
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| Molecular Weight | 315.344 |
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| Exact Mass | 315.056519 |
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| PSA | 88.78000 |
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| LogP | 1.60 |
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| Index of Refraction | 1.609 |
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| InChIKey | LLWOSCPRJRUVST-UHFFFAOYSA-N |
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| SMILES | Cc1onc(-c2ccccc2)c1-c1ccc(S(=O)(=O)O)cc1 |
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| Water Solubility | Very slightly soluble (0.54 g/L) (25 ºC) |
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Safety Information
| Hazard Codes | Xi |
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| HS Code | 2934999090 |
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Customs
| HS Code | 2934999090 |
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| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonic acid |
| 4-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonic acid |
| Benzenesulfonic acid, 4-(5-methyl-3-phenyl-4-isoxazolyl)- |
| 4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonic acid |
| Parecoxib Impurity 25 |
