HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 4198643Erstellt: 27. Oktober 2026
2-Chloroquinoline-3-boronic acid
AKOS BRN-0209 · 3-Borono-2-chloroquinoline · 2-Chloroquinoline-3-boronicaci · 2-Chloroquinolin-3-boronic acid · 2-chlorquinoline-3-boronic acid · 2-CHLORO-3-QUINOLYL BORONIC ACID · 2-Chloroquinoline-3-boronic acid · 2-Chloro-3-quinoline boronic acid
https://huagongshe.com/de/chemical/4198643
Identifikatoren & physikalische Daten
| CAS No. | 128676-84-6 |
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| Summenformel | C9H7BClNO2 |
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| Durchschnittliche Molmasse | 207,42 g/mol |
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| Monoisotopische Masse | 207,02583654 g/mol |
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| SMILES | OB(O)c1cc2ccccc2nc1Cl |
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| InChIKey | JAQXYUOPSOXQCG-UHFFFAOYSA-N |
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| PubChem CID | 4198643 |
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| EC No. | 681-188-7 |
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| DTXSID | DTXSID90400737 |
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Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 53,4 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 3 |
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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 | 205 |
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| Schmelzpunkt | 144-147℃ |
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| Siedepunkt | 426.2±55.0 °C(Predicted) |
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| Dichte | 1.42±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | Inert atmosphere,2-8°C |
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| pKa (Säurekonstante) | 5.62±0.30(Predicted) |
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| InChI | InChI=1S/C9H7BClNO2/c11-9-7(10(13)14)5-6-3-1-2-4-8(6)12-9/h1-5,13-14H |
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| InChIKey | JAQXYUOPSOXQCG-UHFFFAOYSA-N |
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| SMILES | B(C1=CC2C(N=C1Cl)=CC=CC=2)(O)O |
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| CAS Datenbank | 128676-84-6(CAS DataBase Reference) |
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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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 2933499090 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 26-37 |
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