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HCID 5000612Erstellt: 5. November 2026
5-(1-Acetyl-1H-indol-3-YL)-2-(4-bromophenyl)-7,9-dichloro-1,10B-dihydropyrazolo[1,5-C][1,3]benzoxazine
5-(1-ACETYL-1H-INDOL-3-YL)-2-(4-BROMOPHENYL)-7,9-DICHLORO-1,10B-DIHYDROPYRAZOLO[1,5-C][1,3]BENZOXAZINE · Ethanone, 1-[3-[2-(4-bromophenyl)-7,9-dichloro-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]-1H-indol-1-yl]- · 1-{3-[4-(4-bromophenyl)-10,12-dichloro-8-oxa-5,6-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),4,10,12-tetraen-7-yl]-1H-indol-1-yl}ethan-1-one
https://huagongshe.com/de/chemical/5000612
Identifikatoren & physikalische Daten
| CAS No. | 303107-12-2 |
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| Summenformel | C26H18BrCl2N3O2 |
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| Durchschnittliche Molmasse | 555,2 g/mol |
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| Monoisotopische Masse | 552,99594 g/mol |
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| SMILES | CC(=O)n1cc(C2Oc3c(Cl)cc(Cl)cc3C3CC(c4ccc(Br)cc4)=NN32)c2ccccc21 |
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| InChIKey | HMXHTJJQWMYHGN-UHFFFAOYSA-N |
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| PubChem CID | 5000612 |
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| EC No. | 652-677-2 |
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Chemische & physikalische Eigenschaften
| XLogP | 6,7 |
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| Polarare Oberfläche (TPSA) | 46,8 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 34 |
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| Formalladung | 0 |
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| Komplexität | 822 |
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| Siedepunkt | 658.4±65.0 °C(Predicted) |
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| Dichte | 1.63±0.1 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 2.95±0.40(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 | Acute Tox. 3 (100%) |
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| Alarmwort | Achtung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H301 |
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![Molekülstruktur von 5-(1-Acetyl-1H-indol-3-YL)-2-(4-bromophenyl)-7,9-dichloro-1,10B-dihydropyrazolo[1,5-C][1,3]benzoxazine](/img/chemical/5000612.png)