HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 268296Erstellt: 27. Oktober 2026
4-(Bromomethyl)-1,2-dihydroquinolin-2-one
NSC108455 · ST5431943 · ine-2-one · ZINC01700618 · Rebamipide Impurity 13 · 4-BROMOMETHYLQUINOLINONE · 4-Bromomethyl Carbostyril · 4-Bromomethyl-2-quinolinol
https://huagongshe.com/de/chemical/268296
Identifikatoren & physikalische Daten
| CAS No. | 4876-10-2 |
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| Summenformel | C10H8BrNO |
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| Durchschnittliche Molmasse | 238,08 g/mol |
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| Monoisotopische Masse | 236,97892598 g/mol |
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| SMILES | O=c1cc(CBr)c2ccccc2[nH]1 |
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| InChIKey | BBAHJCUCNVVEQU-UHFFFAOYSA-N |
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| PubChem CID | 268296 |
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| EC No. | 679-473-6 |
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| DTXSID | DTXSID60296245 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
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| Polarare Oberfläche (TPSA) | 29,1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 249 |
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| Schmelzpunkt | 255-258°C |
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| Siedepunkt | 391.8±42.0 °C(Predicted) |
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| Dichte | 1.542±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 11.17±0.70(Predicted) |
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| Farbe | White to Light yellow to Light orange |
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| InChI | InChI=1S/C10H8BrNO/c11-6-7-5-10(13)12-9-4-2-1-3-8(7)9/h1-5H,6H2,(H,12,13) |
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| InChIKey | BBAHJCUCNVVEQU-UHFFFAOYSA-N |
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| SMILES | N1C2=C(C=CC=C2)C(CBr)=CC1=O |
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| CAS Datenbank | 4876-10-2(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (85.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 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 | Skin Corr. 1B (85.7%) |
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| Zollcode | 29334900 |
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| R-Sätze (R) | 36/37/38-34 |
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| Gefahrensymbole | Xi |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 26-36/37/39-45 |
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| Gefahrenklasse | 8 |
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