HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 302539Erstellt: 4. November 2026
3-Bromothietane 1,1-dioxide
1,1-Dioxide-3-bromothietane · 3-bromothietane 1,1-dioxide · 3-bromo-1λ?-thietane-1,1-dione · Thietane, 3-bromo-, 1,1-dioxide · 3-bromothietane 1,1-dioxide - [B87046]
https://huagongshe.com/de/chemical/302539
Identifikatoren & physikalische Daten
| CAS No. | 59463-72-8 |
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| Summenformel | C3H5BrO2S |
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| Durchschnittliche Molmasse | 185,04 g/mol |
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| Monoisotopische Masse | 183,9193625 g/mol |
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| SMILES | O=S1(=O)CC(Br)C1 |
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| InChIKey | XSEKMFLQQOEVTJ-UHFFFAOYSA-N |
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| PubChem CID | 302539 |
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| EC No. | 828-235-1 |
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| DTXSID | DTXSID90307111 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
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| Polarare Oberfläche (TPSA) | 42,5 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 7 |
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| Formalladung | 0 |
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| Komplexität | 142 |
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| SpringerMaterials Properties | Schoenflies notation |
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| Schmelzpunkt | 153-155 °C |
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| Siedepunkt | 356.5±35.0 °C(Predicted) |
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| Dichte | 2.013±0.06 g/cm3(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Gefahrenklasse | IRRITANT |
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