HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 2735451Erstellt: 27. Oktober 2026
1-(1-Benzofuran-2-Yl)-2-Bromoethan-1-One
Entecavir-13C2 · AKOS BBS-00004078 · 2-(Bromoacetyl)benzo[b]fu · 2-(2-BROMOACETYL)BENZOFURAN · 2-(Bromoacetyl)benzo[b]furan · 2-(Bromoacetyl)benzofuran 97% · 2-(2-Bromoacetyl)benzo[b]furan · 2-(Bromoacetyl)benzofuran
https://huagongshe.com/de/chemical/2735451
Identifikatoren & physikalische Daten
| CAS No. | 23489-36-3 |
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| Summenformel | C10H7BrO2 |
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| Durchschnittliche Molmasse | 239,06 g/mol |
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| Monoisotopische Masse | 237,96294156 g/mol |
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| SMILES | O=C(CBr)c1cc2ccccc2o1 |
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| InChIKey | NVRNCBWTEDOAQA-UHFFFAOYSA-N |
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| PubChem CID | 2735451 |
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| EC No. | 686-923-5 |
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| DTXSID | DTXSID90370729 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
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| Polarare Oberfläche (TPSA) | 30,2 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 205 |
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| Schmelzpunkt | 89 °C |
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| Siedepunkt | 306.8±17.0 °C(Predicted) |
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| Dichte | 1.582±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
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| Aggregatzustand | solid |
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| InChI | 1S/C10H7BrO2/c11-6-8(12)10-5-7-3-1-2-4-9(7)13-10/h1-5H,6H2 |
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| InChIKey | NVRNCBWTEDOAQA-UHFFFAOYSA-N |
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| SMILES | BrCC(=O)c1cc2ccccc2o1 |
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| CAS Datenbank | 23489-36-3(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Wassergefährdungsklasse (WGK) | 2 |
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| UN-Transportnummer | 3261 |
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| Zollcode | 29329990 |
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| R-Sätze (R) | 34-22 |
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| Gefahrensymbole | C,Xi |
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| hazard_note | Corrosive |
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| Sicherheitshinweise (S) | 26-36/37/39-45 |
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| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Dam. 1Skin Corr. 1B |
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| Lagerklasse | 8A - Combustible corrosive hazardous materials |
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Anwendungen & Verwendung
Verwenden
Reactant for:Eschenmoser coupling reactionPreparation of β-oxo sulfones as substrates for stereoselective Michael addition/cross-benzoin cascade reactionsPreparation of thienylpyrazole-based thiazoles and pyrazolines as antimicrobial, antioxidant, anti-inflammatory, and analgesic agentsPreparation of isatin-(benzofuryl-thiazolyl)-hydrazones by cyclocondensation with isatin-thiosemicarbazones under microwave irradiation as antimicrobial agentsSynthesis of 2-naphthyl ethers as a protective agent against DNA damage induced by bleomycin-ironAsymmetric synthesis of β-dialkylamino alcohols by Ru-catalyzed transfer hydrogenation of α-dialkylamino ketones
