HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 12646366Erstellt: 27. Oktober 2026
2-(Propane-2-sulfonyl)aniline
2-(isopropylsulfonyl)aniline · 2-(isopropylsulfonyl)a · 2-propan-2-ylsulfonylaniline · 2-(Isopropylsulphonyl)aniline · 2-(propane-2-sulfonyl)aniline · 362-(IsoPropylsulfonyl)Aniline · 2-AMinophenyl Isopropyl Sulfone · 2-(isopropylsulfonyl)benzenaMine
https://huagongshe.com/de/chemical/12646366
Identifikatoren & physikalische Daten
| CAS No. | 76697-50-2 |
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| Summenformel | C9H13NO2S |
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| Durchschnittliche Molmasse | 199,27 g/mol |
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| Monoisotopische Masse | 199,06669966 g/mol |
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| SMILES | CC(C)S(=O)(=O)c1ccccc1N |
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| InChIKey | GMLAMRMKROYXNZ-UHFFFAOYSA-N |
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| PubChem CID | 12646366 |
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| EC No. | 808-271-4 |
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| DTXSID | DTXSID70505557 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
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| Polarare Oberfläche (TPSA) | 68,5 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 253 |
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| Schmelzpunkt | 83.0 to 87.0 °C |
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| Siedepunkt | 381.1±34.0 °C(Predicted) |
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| Dichte | 1.194±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | -0.79±0.10(Predicted) |
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| Farbe | Beige |
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| InChI | InChI=1S/C9H13NO2S/c1-7(2)13(11,12)9-6-4-3-5-8(9)10/h3-7H,10H2,1-2H3 |
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| InChIKey | GMLAMRMKROYXNZ-UHFFFAOYSA-N |
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| SMILES | C1(N)=CC=CC=C1S(C(C)C)(=O)=O |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.WarningH302 (60%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 5 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 | Acute Tox. 4 (60%) |
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| Zollcode | 2930909899 |
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| Gefahrensymbole | Xi |
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| hazard_note | Irritant |
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