HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 76949Generated: October 27, 2026
1-Phenyl-2-(phenylsulphonyl)ethan-1-one
TIMTEC-BB SBB009912 · 2-BENZENESULFONYLACETOPHENONE · (Phenylsulfonylacetyl)benzene · 2-(PHENYLSULFONYL)ACETOPHENONE · à-(benzenesulfonyl)acetophenone · 2-Oxo-2-phenylethylphenyl sulfone · Acetophenone, 2-(phenylsulfonyl)- · ALPHA-(PHENYLSULFONYL)ACETOPHENONE
https://huagongshe.com/en/chemical/76949
Identifiers & Physical Properties
| CAS No. | 3406-03-9 |
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| Molecular formula | C14H12O3S |
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| Average molar mass | 260.31 g/mol |
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| Monoisotopic mass | 260.05071524 g/mol |
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| SMILES | O=C(CS(=O)(=O)c1ccccc1)c1ccccc1 |
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| InChIKey | DREVPGKOIZVPQV-UHFFFAOYSA-N |
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| PubChem CID | 76949 |
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| ChEMBL | CHEMBL379738 |
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| EC No. | 222-292-0 |
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| DTXSID | DTXSID20187660 |
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Chemical & Physical Properties
| XLogP | 2.6 |
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| Topological polar surface area | 59.6 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 18 |
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| Formal charge | 0 |
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| Complexity | 368 |
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| SpringerMaterials Properties | Chemical shift |
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| LogP (partition coefficient) | 1.86 |
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| Melting point | 93-95 °C(lit.) |
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| Boiling point | 373.57°C (rough estimate) |
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| Density | 1.2959 (rough estimate) |
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| Refractive index | 1.5050 (estimate) |
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| Storage conditions | Storage temp. 2-8°C |
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| Solubility | soluble in Benzene |
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| Physical state | powder to crystal |
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| Color | White to Orange to Green |
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| BRN | 1879574 |
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| CAS DataBase Reference | 3406-03-9(CAS DataBase Reference) |
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| FDA UNII | F6UD8QA2EG |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H315-H319 |
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| GHS precautionary statements | P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 |
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| Hazard symbols | Xi |
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| Risk statements (R) | 36/37/38 |
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| Safety statements (S) | 26-37/39-24/25 |
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| Water hazard class (WGK) | 3 |
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| Hazard class | IRRITANT |
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| Customs code | 29309090 |
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Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Water hazard class (WGK) | 3 |
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| Customs code | 29309090 |
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| Risk statements (R) | 36/37/38 |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| Hazard symbols | Xi |
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| Safety statements (S) | 26-37/39-24/25 |
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| Hazard class | IRRITANT |
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| GHS hazard statements | H315-H319 |
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| GHS precautionary statements | P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 |
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