HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 656900Erstellt: 27. Oktober 2026
4-Iodobenzene-1-thiol
SKL557 · p-Iodobenzenethiol · 4-iodo-benzenethiol · 4-iodobenzene-1-thiol · Benzenethiol, 4-iodo- · IKZUTVQEBGHQJA-UHFFFAOYSA-N
https://huagongshe.com/de/chemical/656900
Identifikatoren & physikalische Daten
| CAS No. | 52928-01-5 |
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| Summenformel | C6H5IS |
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| Durchschnittliche Molmasse | 236,08 g/mol |
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| Monoisotopische Masse | 235,91567 g/mol |
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| SMILES | Sc1ccc(I)cc1 |
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| InChIKey | IKZUTVQEBGHQJA-UHFFFAOYSA-N |
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| PubChem CID | 656900 |
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| EC No. | 821-453-8 |
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| DTXSID | DTXSID40349667 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
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| Polarare Oberfläche (TPSA) | 1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 8 |
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| Formalladung | 0 |
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| Komplexität | 66 |
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| Schmelzpunkt | 85 °C(Solv: ethanol (64-17-5)) |
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| Siedepunkt | 252.1±23.0 °C(Predicted) |
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| Dichte | 1.901±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 6.07±0.10(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%)Eye Dam. 1 (100%) |
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| Alarmwort | Achtung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
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