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HCID 68012Erstellt: 26. Oktober 2026
1,1,1-Trifluoro-N-phenylmethanesulfonamide
1,1,1-trifluoro-N-phenylmethanesulfonamide · N-[(Trifluoromethyl)sulfonyl]aniline · Phenyltriflamide · N-Phenyltriflamide · Trifluoromethanesulfonaniline · trifluoromethanesulfonanilide · N-Phenyltrifluoromethanesulfonamide · 1,1,1-Trifluoromethanesulfonanilide
https://huagongshe.com/de/chemical/68012
Identifikatoren & physikalische Daten
| CAS No. | 456-64-4 |
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| Summenformel | C7H6F3NO2S |
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| Durchschnittliche Molmasse | 225,19 g/mol |
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| Monoisotopische Masse | 225,00713409 g/mol |
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| SMILES | O=S(=O)(Nc1ccccc1)C(F)(F)F |
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| InChIKey | OXDSKEQSEGDAFN-UHFFFAOYSA-N |
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| PubChem CID | 68012 |
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| ChEMBL | CHEMBL286402 |
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| EC No. | 805-920-3 |
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| DTXSID | DTXSID20196570 |
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Chemische & physikalische Eigenschaften
| XLogP | 3 |
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| Polarare Oberfläche (TPSA) | 54,6 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 6 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 274 |
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| PFAS | PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008 |
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| Schmelzpunkt | 65-66℃ |
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| Siedepunkt | 233.5±50.0 °C(Predicted) |
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| Dichte | 1.539±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 4.35±0.10(Predicted) |
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| Farbe | White to Almost white |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301+H311+H331 (16.7%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Status: Active Update: 10-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24155 |
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| Hazard Classes and Categories | Acute Tox. 3 (66.7%) |
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| UN-Transportnummer | UN 2811 6.1/PG III |
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| Zollcode | 2904100090 |
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| RTECS-Nr. | PB0482000 |
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| Gefahrenklasse | 6.1 |
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| Verpackungsgruppe | III |
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