Valdecoxib Sulfonic Acid
Valdecoxib Sulfonic Acid structure
|
Common Name | Valdecoxib Sulfonic Acid | ||
|---|---|---|---|---|
| CAS Number | 181696-35-5 | Molecular Weight | 315.344 | |
| Density | 1.341±0.06 g/cm3 | Boiling Point | N/A | |
| Molecular Formula | C16H13NO4S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Valdecoxib Sulfonic Acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.341±0.06 g/cm3 |
|---|---|
| Molecular Formula | C16H13NO4S |
| Molecular Weight | 315.344 |
| Exact Mass | 315.056519 |
| PSA | 88.78000 |
| LogP | 1.60 |
| Index of Refraction | 1.609 |
| InChIKey | LLWOSCPRJRUVST-UHFFFAOYSA-N |
| SMILES | Cc1onc(-c2ccccc2)c1-c1ccc(S(=O)(=O)O)cc1 |
| Water Solubility | Very slightly soluble (0.54 g/L) (25 ºC) |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| HS Code | 2934999090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2934999090 |
|---|---|
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonic acid |
| 4-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonic acid |
| 4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonic acid |
| Parecoxib Impurity 25 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of Valdecoxib Sulfonic Acid? |
| A: CAS number of Valdecoxib Sulfonic Acid is 181696-35-5. |
| Q: How is the water solubility of Valdecoxib Sulfonic Acid? |
| A: Water solubility of Valdecoxib Sulfonic Acid: Very slightly soluble (0.54 g/L) (25 ºC). |
| Q: What is the polar surface area (PSA) of Valdecoxib Sulfonic Acid? |
| A: Polar surface area (PSA) of Valdecoxib Sulfonic Acid is 88.78000. |
| Q: What is the molecular weight of Valdecoxib Sulfonic Acid? |
| A: Molecular weight of Valdecoxib Sulfonic Acid is 315.344. |
| Q: What is the English name of Valdecoxib Sulfonic Acid? |
| A: The English name of Valdecoxib Sulfonic Acid is Valdecoxib Sulfonic Acid. |
| Q: What is the LogP of Valdecoxib Sulfonic Acid? |
| A: LogP of Valdecoxib Sulfonic Acid is 1.60. |
| Q: What is the molecular formula of Valdecoxib Sulfonic Acid? |
| A: Molecular formula of Valdecoxib Sulfonic Acid is C16H13NO4S. |
| Q: What English synonyms does Valdecoxib Sulfonic Acid have? |
| A: English synonyms of Valdecoxib Sulfonic Acid: 4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonic acid, 4-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonic acid, 4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonic acid, Parecoxib Impurity 25. |
| Q: What is the InChIKey of Valdecoxib Sulfonic Acid? |
| A: InChIKey of Valdecoxib Sulfonic Acid is LLWOSCPRJRUVST-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of Valdecoxib Sulfonic Acid? |
| A: SMILES notation of Valdecoxib Sulfonic Acid is Cc1onc(-c2ccccc2)c1-c1ccc(S(=O)(=O)O)cc1. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |