HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 640963Erstellt: 23. Oktober 2026
1-Bromoisoquinoline
1-BROMOISOQUINOLINE · Isoquinoline, 1-broMo- · 1-Bromoisoquinoline >1-Bromoisoquinoline 95% · 1-BROMOISOQUINOLINE, 95+% · 1-Bromoisoquinoline, White to amber · 1-Bromoisoquinoline ISO 9001：2015 REACH · Carbamicacid,N-(2-bromoethyl)-N-methyl-,1,4-dimethylethylester · Isoquinoline, 1-broMo- Superlist NaMe：1-broMoisoquinoline
https://huagongshe.com/de/chemical/640963
Identifikatoren & physikalische Daten
| CAS No. | 1532-71-4 |
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| Summenformel | C9H6BrN |
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| Durchschnittliche Molmasse | 208,05 g/mol |
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| Monoisotopische Masse | 206,96836129 g/mol |
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| SMILES | Brc1nccc2ccccc12 |
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| InChIKey | YWWZASFPWWPUBN-UHFFFAOYSA-N |
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| PubChem CID | 640963 |
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| EC No. | 679-571-9 |
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| DTXSID | DTXSID20348830 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
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| Polarare Oberfläche (TPSA) | 12,9 |
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| H-Brücken-Donoren | 0 |
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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 | 138 |
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| Schmelzpunkt | 42.0 to 46.0 °C |
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| Siedepunkt | 316.3±15.0 °C(Predicted) |
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| Dichte | 1.564±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) | 2.03±0.30(Predicted) |
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| Aggregatzustand | Low Melting Solid |
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| Farbe | Light yellow to light brown |
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| InChI | 1S/C9H6BrN/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H |
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| InChIKey | YWWZASFPWWPUBN-UHFFFAOYSA-N |
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| SMILES | Brc1nccc2ccccc12 |
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| CAS Datenbank | 1532-71-4(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (93.2%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 6 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 (93.2%) |
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| Wassergefährdungsklasse (WGK) | 2 |
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| UN-Transportnummer | UN 2811 6.1 / PGIII |
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| Zollcode | 29334900 |
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| R-Sätze (R) | 25-41 |
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| Gefahrensymbole | Xi,T |
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| Sicherheitshinweise (S) | 26-45 |
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| Lagerklasse | 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects |
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| Gefahrenklasse | Acute Tox. 3 OralEye Dam. 1 |
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