Introduction：Basic information about CAS 81453-98-7|3-Acetyl-1-(phenylsulfonyl)pyrrole, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Acetyl-1-(phenylsulfonyl)pyrrole |
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| CAS Number | 81453-98-7 | Molecular Weight | 249.28600 |
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| Density | 1.26g/cm3 | Boiling Point | 435.7ºC at 760mmHg |
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| Molecular Formula | C12H11NO3S | Melting Point | 96-99 °C(lit.) |
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| MSDS | / | Flash Point | 217.3ºC |
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Names
| Name | 3-Acetyl-1-(phenylsulfonyl)pyrrole |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.26g/cm3 |
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| Boiling Point | 435.7ºC at 760mmHg |
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| Melting Point | 96-99 °C(lit.) |
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| Molecular Formula | C12H11NO3S |
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| Molecular Weight | 249.28600 |
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| Flash Point | 217.3ºC |
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| Exact Mass | 249.04600 |
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| PSA | 64.52000 |
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| LogP | 3.00850 |
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| Index of Refraction | 1.599 |
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| InChIKey | HTMLKRFQINMFRA-UHFFFAOYSA-N |
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| SMILES | CC(=O)c1ccn(S(=O)(=O)c2ccccc2)c1 |
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Safety Information
| Hazard Codes | Xi: Irritant; |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26-S36 |
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| WGK Germany | 3 |
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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
| MFCD00067752 |
| 1-[1-(benzenesulfonyl)pyrrol-3-yl]ethanone |
