HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 2760587Erstellt: 27. Oktober 2026
3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
2-dioxaborolan-2-yl)-benzaMide · 3-aminoformylbenzeneboronic acidolester · 3-Carbamoylphenylboronic Acid Pinacol Ester · 3-Carbamoylbenzeneboronic acid pinacol ester · 3-(tetraMethyl-1,3,2-dioxaborolan-2-yl)benzaMide · 3-CarbaMoylphenylboronic acid pinacol ester, 97% · 3-AMINOCARBONYLPHENYLBORONIC ACID, PINACOL ESTER · 3-Carbamoylphenylboronic acid pinacol ester, 97%,
https://huagongshe.com/de/chemical/2760587
Identifikatoren & physikalische Daten
| CAS No. | 188665-74-9 |
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| Summenformel | C13H18BNO3 |
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| Durchschnittliche Molmasse | 247,1 g/mol |
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| Monoisotopische Masse | 247,13797384 g/mol |
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| SMILES | CC1(C)OB(c2cccc(C(N)=O)c2)OC1(C)C |
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| InChIKey | BPKIPHYWHVOWMS-UHFFFAOYSA-N |
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| PubChem CID | 2760587 |
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| EC No. | 675-001-8 |
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| DTXSID | DTXSID60375241 |
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Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 61,6 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 18 |
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| Formalladung | 0 |
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| Komplexität | 327 |
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| Schmelzpunkt | 192-194°C |
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| Siedepunkt | 384.6±25.0 °C(Predicted) |
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| Dichte | 1.11±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| pKa (Säurekonstante) | 16.00±0.50(Predicted) |
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| Aggregatzustand | solid |
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| InChI | 1S/C13H18BNO3/c1-12(2)13(3,4)18-14(17-12)10-7-5-6-9(8-10)11(15)16/h5-8H,1-4H3,(H2,15,16) |
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| InChIKey | BPKIPHYWHVOWMS-UHFFFAOYSA-N |
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| SMILES | B2(OC(C(O2)(C)C)(C)C)c1cc(ccc1)C(=O)N |
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| CAS Datenbank | 188665-74-9(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (97.6%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 2931900090 |
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| R-Sätze (R) | 22 |
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| Gefahrensymbole | Xn |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 Oral |
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