HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 44558152Erstellt: 27. Oktober 2026
2-Methyl-4-(trifluoromethyl)benzeneboronic acid
2-methylthiazole-31-carboxylic acid · 4-(trifluoromethyl)-2-methylphenylboronic acid · Boronic acid, B-[2-methyl-4-(trifluoromethyl)phenyl]-
https://huagongshe.com/de/chemical/44558152
Identifikatoren & physikalische Daten
| CAS No. | 957034-45-6 |
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| Summenformel | C8H8BF3O2 |
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| Durchschnittliche Molmasse | 203,96 g/mol |
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| Monoisotopische Masse | 204,05694456 g/mol |
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| SMILES | Cc1cc(C(F)(F)F)ccc1B(O)O |
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| InChIKey | USEHFBIGOATLIA-UHFFFAOYSA-N |
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| PubChem CID | 44558152 |
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| EC No. | 801-225-4 |
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| DTXSID | DTXSID20659372 |
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Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 40,5 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 196 |
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| Siedepunkt | 271.9±50.0 °C(Predicted) |
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| Dichte | 1.31±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
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| pKa (Säurekonstante) | 7.90±0.58(Predicted) |
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| InChI | InChI=1S/C8H8BF3O2/c1-5-4-6(8(10,11)12)2-3-7(5)9(13)14/h2-4,13-14H,1H3 |
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| InChIKey | USEHFBIGOATLIA-UHFFFAOYSA-N |
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| SMILES | B(C1=CC=C(C(F)(F)F)C=C1C)(O)O |
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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 3 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 | 2931900090 |
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