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HCID 520213Erstellt: 23. Oktober 2026
Methyl 3-(trifluoromethyl)benzoate
TrifluoroMethyl benzoate · TIMTEC-BB SBB007893 · RARECHEM AL BF 0072 · Methyl 3-(trifluorom · M-CARBOMETHOXYBENZOTRIFLUORIDE · 3-CARBOMETHOXYBENZOTRIFLUORIDE · Methyl3-(trifluoromethyl)benzene · 3-Trifluoromethylbenzoate methyl
https://huagongshe.com/de/chemical/520213
Identifikatoren & physikalische Daten
| CAS No. | 2557-13-3 |
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| Summenformel | C9H7F3O2 |
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| Durchschnittliche Molmasse | 204,15 g/mol |
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| Monoisotopische Masse | 204,03981412 g/mol |
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| SMILES | COC(=O)c1cccc(C(F)(F)F)c1 |
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| InChIKey | QQHNNQCWKYFNAC-UHFFFAOYSA-N |
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| PubChem CID | 520213 |
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| EC No. | 457-830-5 |
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| DTXSID | DTXSID10334282 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
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| Polarare Oberfläche (TPSA) | 26,3 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 5 |
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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 | 213 |
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| PFAS | PFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compoundsPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008 |
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| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
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| Siedepunkt | 93-95 °C20 mm Hg(lit.) |
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| Dichte | 1.295 g/mL at 25 °C(lit.) |
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| Dampfdruck | 0.002-0.023Pa at 20-50℃ |
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| Brechungsindex | n20/D 1.453(lit.) |
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| Flammpunkt | 105 °F |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | clear liquid |
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| Farbe | Colorless to Almost colorless |
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| Wichte | 1.295 |
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| BRN | 1963428 |
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| LogP (Verteilungskoeffizient) | 3 at 22℃ and pH4-10 |
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| CAS Datenbank | 2557-13-3(CAS DataBase Reference) |
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| NIST chemische Informationen | 4-CF3-C6H4-COOCH3(2557-13-3) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (87.2%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Cease Manufacture Update: 18-06-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/3231 |
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| Hazard Classes and Categories | Flam. Liq. 3 (87.2%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| UN-Transportnummer | UN 3272 3/PG 3 |
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| Zollcode | 29163990 |
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| R-Sätze (R) | 10-36/37/38 |
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| Gefahrensymbole | Xi,F |
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| hazard_note | Flammable/Irritant |
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| Sicherheitshinweise (S) | 26-36/37/39-37/39-16 |
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| Gefahrenklasse | 3.2 |
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| Verpackungsgruppe | III |
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