HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 3534880Erstellt: 27. Oktober 2026
5-bromo-7-fluoro-1H-indole
5-Bromo-8-fluoroindole · 5-bromo-7-fluoro-1H-indole · 1H-Indole, 5-broMo-7-fluoro-
https://huagongshe.com/de/chemical/3534880
Identifikatoren & physikalische Daten
| CAS No. | 883500-73-0 |
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| Summenformel | C8H5BrFN |
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| Durchschnittliche Molmasse | 214,03 g/mol |
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| Monoisotopische Masse | 212,95893948 g/mol |
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| SMILES | Fc1cc(Br)cc2cc[nH]c12 |
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| InChIKey | TZRRRWOVYVGRSL-UHFFFAOYSA-N |
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| PubChem CID | 3534880 |
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| EC No. | 694-420-7 |
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| DTXSID | DTXSID70393416 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
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| Polarare Oberfläche (TPSA) | 15,8 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 153 |
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| Schmelzpunkt | 28-32°C |
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| Siedepunkt | 315.1±22.0 °C(Predicted) |
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| Dichte | 1.750±0.06 g/cm3(Predicted) |
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| Flammpunkt | >110℃ |
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| Lagerbedingungen | Inert atmosphere,Room Temperature |
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| pKa (Säurekonstante) | 14.58±0.30(Predicted) |
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| InChI | 1S/C8H5BrFN/c9-6-3-5-1-2-11-8(5)7(10)4-6/h1-4,11H |
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| InChIKey | TZRRRWOVYVGRSL-UHFFFAOYSA-N |
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| SMILES | BrC1=CC2=C(NC=C2)C(F)=C1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 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 (97.5%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 2933998090 |
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| R-Sätze (R) | 22-37/38-41 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 26-36/37/39 |
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| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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