HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 5084101Erstellt: 27. Oktober 2026
3-Butoxyphenylboronic Acid
AKOS BRN-0942 · 3-ButoxyphenyL · (3-butoxyphenyl)boronicaci · 3-BUTOXYPHENYLBORONIC ACID · 3-Butoxybenzeneboronic acid · B-(3-Butoxyphenyl)boronic acid · Boronic acid, B-(3-butoxyphenyl)- · Boronic acid, (3-butoxyphenyl)- (9CI)
https://huagongshe.com/de/chemical/5084101
Identifikatoren & physikalische Daten
| CAS No. | 352534-81-7 |
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| Summenformel | C10H15BO3 |
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| Durchschnittliche Molmasse | 194,04 g/mol |
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| Monoisotopische Masse | 194,11142474 g/mol |
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| SMILES | CCCCOc1cccc(B(O)O)c1 |
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| InChIKey | ZTRKYYYDXARQRD-UHFFFAOYSA-N |
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| PubChem CID | 5084101 |
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| EC No. | 807-982-7 |
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| DTXSID | DTXSID00408163 |
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Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 49,7 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 5 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 152 |
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| Schmelzpunkt | 89-93 °C (lit.) |
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| Siedepunkt | 351.3±44.0 °C(Predicted) |
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| Dichte | 1.08±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | Inert atmosphere,Room Temperature |
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| Löslichkeit | soluble in Methanol |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 8.13±0.10(Predicted) |
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| Farbe | White to Almost white |
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| InChI | 1S/C10H15BO3/c1-2-3-7-14-10-6-4-5-9(8-10)11(12)13/h4-6,8,12-13H,2-3,7H2,1H3 |
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| InChIKey | ZTRKYYYDXARQRD-UHFFFAOYSA-N |
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| SMILES | CCCCOc1cccc(c1)B(O)O |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 2931900090 |
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| Lagerklasse | 13 - Non Combustible Solids |
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