HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 3759744Erstellt: 27. Oktober 2026
2-(4-Bromo-3-oxobutyl)-1H-isoindole-1,3(2H)-dione
2-(4-Bromo-3-oxobutyl)isoindoline-1,3-dione · 1H-Isoindole-1,3(2H)-dione, 2-(4-bromo-3-oxobutyl)- · 2-(4-Bromo-3-oxobutyl)-2,3-dihydro-1H-isoindole-1,3-dione
https://huagongshe.com/de/chemical/3759744
Identifikatoren & physikalische Daten
| CAS No. | 51132-00-4 |
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| Summenformel | C12H10BrNO3 |
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| Durchschnittliche Molmasse | 296,12 g/mol |
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| Monoisotopische Masse | 294,98440528 g/mol |
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| SMILES | O=C(CBr)CCN1C(=O)c2ccccc2C1=O |
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| InChIKey | PTPZBCHKQSHXQZ-UHFFFAOYSA-N |
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| PubChem CID | 3759744 |
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| EC No. | 610-614-6 |
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| DTXSID | DTXSID00396036 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
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| Polarare Oberfläche (TPSA) | 54,5 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 17 |
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| Formalladung | 0 |
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| Komplexität | 332 |
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| Schmelzpunkt | 119-120 °C |
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| Siedepunkt | 427.3±25.0 °C(Predicted) |
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| Dichte | 1.614±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
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| pKa (Säurekonstante) | -2.29±0.20(Predicted) |
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| Aggregatzustand | solid |
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| InChI | InChI=1S/C12H10BrNO3/c13-7-8(15)5-6-14-11(16)9-3-1-2-4-10(9)12(14)17/h1-4H,5-7H2 |
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| InChIKey | PTPZBCHKQSHXQZ-UHFFFAOYSA-N |
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| SMILES | C1(=O)C2=C(C=CC=C2)C(=O)N1CCC(=O)CBr |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Sens. 1 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 3077 9 / PGIII |
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| Zollcode | 2933998090 |
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| R-Sätze (R) | 43-52 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 36/37 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Aquatic Chronic 2Skin Sens. 1 |
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