HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 65620Erstellt: 5. November 2026
Brochinaldol
Brochinaldol · broquinaldol · Broquinaldolum · Unii-519jds089k · Einecs 239-680-0 · Broquinaldolum [latin] · Broquinaldolum [inn-latin] · 5,7-Dibrom-2-methyl-8-chinolinol
https://huagongshe.com/de/chemical/65620
Identifikatoren & physikalische Daten
| CAS No. | 15599-52-7 |
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| Summenformel | C10H7Br2NO |
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| Durchschnittliche Molmasse | 316,98 g/mol |
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| Monoisotopische Masse | 314,88944 g/mol |
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| SMILES | Cc1ccc2c(Br)cc(Br)c(O)c2n1 |
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| InChIKey | BNACJQWJZKPAPV-UHFFFAOYSA-N |
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| PubChem CID | 65620 |
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| ChEMBL | CHEMBL1394319 |
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| EC No. | 239-680-0 |
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| DTXSID | DTXSID9046235 |
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| Lokaler Name | Brochinaldol |
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Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
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| Polarare Oberfläche (TPSA) | 33,1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 214 |
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| Schmelzpunkt | 126-130 °C (lit.) |
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| Siedepunkt | 367.4±37.0 °C(Predicted) |
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| Dichte | 1.934±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 2.41±0.30(Predicted) |
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| Aggregatzustand | powder |
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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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-37/39 |
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