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HCID 166159262Erstellt: 4. November 2026
(5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)furan-2-one
(R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)furan-2(5H)-one · (5R)-3-(3,4-Difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)-2(5H)-furanone · Sutezolid intermediate · Suzetrigine Impurity 199 · 2(5H)-Furanone, 3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)-, (5R)-
https://huagongshe.com/de/chemical/166159262
Identifikatoren & physikalische Daten
| CAS No. | 2875066-35-4 |
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| Summenformel | C14H11F5O3 |
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| Durchschnittliche Molmasse | 322,23 g/mol |
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| Monoisotopische Masse | 322,06283502 g/mol |
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| SMILES | COc1c(C2=C(C)[C@](C)(C(F)(F)F)OC2=O)ccc(F)c1F |
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| InChIKey | NAJSQFOELXBZPY-CYBMUJFWSA-N |
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| PubChem CID | 166159262 |
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| EC No. | 957-069-3 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
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| Polarare Oberfläche (TPSA) | 35,5 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 8 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 22 |
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| Formalladung | 0 |
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| Komplexität | 501 |
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| Siedepunkt | 381.8±42.0 °C(Predicted) |
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| Dichte | 1.379±0.06 g/cm3(Predicted) |
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| InChI | InChI=1S/C14H11F5O3/c1-6-9(12(20)22-13(6,2)14(17,18)19)7-4-5-8(15)10(16)11(7)21-3/h4-5H,1-3H3/t13-/m1/s1 |
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| InChIKey | NAJSQFOELXBZPY-CYBMUJFWSA-N |
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| SMILES | O1[C@@](C)(C(F)(F)F)C(C)=C(C2=CC=C(F)C(F)=C2OC)C1=O |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, 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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| Regulatorische Informationen | REACH registered substance: (5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)furan-2-one (EC: 957-069-3) |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
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