Phenylsulfonylacetone
Phenylsulfonylacetone structure
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Common Name | Phenylsulfonylacetone | ||
|---|---|---|---|---|
| CAS Number | 5000-44-2 | Molecular Weight | 198.23900 | |
| Density | 1.228 g/cm3 | Boiling Point | 371.7ºC at 760 mmHg | |
| Molecular Formula | C9H10O3S | Melting Point | 55-59 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | >230 °F | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | benzenesulfonylacetone |
|---|---|
| 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 | 1.228 g/cm3 |
|---|---|
| Boiling Point | 371.7ºC at 760 mmHg |
| Melting Point | 55-59 °C(lit.) |
| Molecular Formula | C9H10O3S |
| Molecular Weight | 198.23900 |
| Flash Point | >230 °F |
| Exact Mass | 198.03500 |
| PSA | 59.59000 |
| LogP | 2.13010 |
| Index of Refraction | 1.526 |
| InChIKey | YBLGSNMIIPIRFC-UHFFFAOYSA-N |
| SMILES | CC(=O)CS(=O)(=O)c1ccccc1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xi |
| Safety Phrases | S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2914700090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2914700090 |
|---|---|
| Summary | HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Comparative Asymmetric Reduction of Phenylthioacetone,(±)-Phenylsulfinylacetone and Phenylsulfonylacetone with Fermenting Bakers’ Yeast Iriuchijima S and Kojima N.
Agric. Biol. Chem. 42.2 , 451-455, (1978)
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Arylation of enolate anions with (. eta. 6-chlorobenzene)(. eta. 5-cyclopentadienyl) iron (II) hexafluorophosphate Moriarty RM and Gill US
Organometallics 5.2 , 253-256, (1986)
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Copper-Catalyzed Coupling Cyclization of gem-Difluoroalkenes with Activated Methylene Carbonyl Compounds: Facile Domino Access to Polysubstituted Furans Zhang, Xuxue, et al.
Org. Lett. 17.11 , 2708-2711, (2015)
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This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Cysteine reactivity assessed as cysteine oxidation
Source: ChEMBL
Target: N/A
External Id: CHEMBL4351049
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-(benzenesulfonyl)propan-2-one |
| Phenylsulfonylacetone |
| MFCD00047794 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of benzenesulfonylacetone? |
| A: LogP of benzenesulfonylacetone is 2.13010. |
| Q: What is the boiling point of benzenesulfonylacetone? |
| A: Boiling point of benzenesulfonylacetone is 371.7ºC at 760 mmHg. |
| Q: What is the molecular weight of benzenesulfonylacetone? |
| A: Molecular weight of benzenesulfonylacetone is 198.23900. |
| Q: What is the molecular formula of benzenesulfonylacetone? |
| A: Molecular formula of benzenesulfonylacetone is C9H10O3S. |
| Q: What is the polar surface area (PSA) of benzenesulfonylacetone? |
| A: Polar surface area (PSA) of benzenesulfonylacetone is 59.59000. |
| Q: What is the safety information for benzenesulfonylacetone? |
| A: Safety information for benzenesulfonylacetone: S24/25. |
| Q: What English synonyms does benzenesulfonylacetone have? |
| A: English synonyms of benzenesulfonylacetone: 1-(benzenesulfonyl)propan-2-one, Phenylsulfonylacetone, MFCD00047794. |
| Q: What is the melting point of benzenesulfonylacetone? |
| A: Melting point of benzenesulfonylacetone is 55-59 °C(lit.). |
| Q: What is the English name of benzenesulfonylacetone? |
| A: The English name of benzenesulfonylacetone is benzenesulfonylacetone. |
| Q: What is the InChIKey of benzenesulfonylacetone? |
| A: InChIKey of benzenesulfonylacetone is YBLGSNMIIPIRFC-UHFFFAOYSA-N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |