HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 17837619Erstellt: 27. Oktober 2026
Methyl 2-methyl-3-(trifluoromethyl)benzoate
2-methyl-3-(trifluoromethyl)methyl benzoate · Methyl 2-Methyl-3-(trifluoroMethyl)benzoate · 2-Methyl-3-(trifluoromethyl)benzoic acid methyl ester · Benzoic acid, 2-methyl-3-(trifluoromethyl)-, methyl ester
https://huagongshe.com/de/chemical/17837619
Identifikatoren & physikalische Daten
| CAS No. | 346603-63-2 |
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| Summenformel | C10H9F3O2 |
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| Durchschnittliche Molmasse | 218,17 g/mol |
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| Monoisotopische Masse | 218,05546419 g/mol |
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| SMILES | COC(=O)c1cccc(C(F)(F)F)c1C |
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| InChIKey | KFJGSNVBDYRBAD-UHFFFAOYSA-N |
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| PubChem CID | 17837619 |
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| EC No. | 870-696-6 |
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| DTXSID | DTXSID10591196 |
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Chemische & physikalische Eigenschaften
| XLogP | 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 | 15 |
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| Formalladung | 0 |
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| Komplexität | 237 |
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| Siedepunkt | 220℃ |
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| Dichte | 1.231 |
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| Flammpunkt | 68℃ |
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| Lagerbedingungen | 2-8°C |
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| InChI | InChI=1S/C10H9F3O2/c1-6-7(9(14)15-2)4-3-5-8(6)10(11,12)13/h3-5H,1-2H3 |
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| InChIKey | KFJGSNVBDYRBAD-UHFFFAOYSA-N |
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| SMILES | C(OC)(=O)C1=CC=CC(C(F)(F)F)=C1C |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Zollcode | 9999999999 |
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