HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 763196Erstellt: 4. November 2026
1-(4-Chloro-benzenesulfonyl)-cyclopentane-carboxylic acid
1-[(4-CHLOROPHENYL)SULFONYL]CYCLOPENTANECARBOXYLIC ACID · 1-(4-Chloro-benzenesulfonyl)-cyclopentane-carboxylic acid · Cyclopentanecarboxylic acid, 1-[(4-chlorophenyl)sulfonyl]-
https://huagongshe.com/de/chemical/763196
Identifikatoren & physikalische Daten
| CAS No. | 505071-95-4 |
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| Summenformel | C12H13ClO4S |
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| Durchschnittliche Molmasse | 288,75 g/mol |
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| Monoisotopische Masse | 288,0223078 g/mol |
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| SMILES | O=C(O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 |
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| InChIKey | UVFIGUUIPQNZBK-UHFFFAOYSA-N |
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| PubChem CID | 763196 |
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| EC No. | 186-791-4 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
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| Polarare Oberfläche (TPSA) | 79,8 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 18 |
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| Formalladung | 0 |
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| Komplexität | 412 |
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| Siedepunkt | 507.9±50.0 °C(Predicted) |
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| Dichte | 1.453±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 2.56±0.20(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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Gefahrensymbole | Xi |
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| Gefahrenklasse | IRRITANT |
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