Introduction：Basic information about CAS 80206-91-3|8-Pspt (8-SPT), including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 8-Pspt (8-SPT) |
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| CAS Number | 80206-91-3 | Molecular Weight | 336.32300 |
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| Density | 1.594g/cm3 | Boiling Point | / |
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| Molecular Formula | C13H12N4O5S | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| Name | 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.594g/cm3 |
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| Molecular Formula | C13H12N4O5S |
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| Molecular Weight | 336.32300 |
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| Exact Mass | 336.05300 |
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| PSA | 135.43000 |
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| LogP | 0.95480 |
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| Index of Refraction | 1.661 |
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| InChIKey | LXJSJIXZOAMHTG-UHFFFAOYSA-N |
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| SMILES | Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)O)cc3)nc2n(C)c1=O |
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Safety Information
| Hazard Codes | Xi |
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| Risk Phrases | 36/37/38 |
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| Safety Phrases | 26 |
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| HS Code | 2933990090 |
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Customs
| HS Code | 2933990090 |
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| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| Psp-theophylline |
| 8-SPT |
| 8-Pspt |
