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HCID 12371746Erstellt: 31. Oktober 2026
6-Chloroisoquinoline
6-CHLOROISOQUINOLINE · Isoquinoline, 6-chloro- · 6-chloro-Isoquinoline, (6CI,9CI) · Isoquinoline, 6-chloro- (6CI,9CI) · Isoquinoline, 6-chloro- (6CI,9CI) ISO 9001：2015 REACH
https://huagongshe.com/de/chemical/12371746
Identifikatoren & physikalische Daten
| CAS No. | 62882-02-4 |
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| Summenformel | C9H6ClN |
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| Durchschnittliche Molmasse | 163,6 g/mol |
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| Monoisotopische Masse | 163,0188769 g/mol |
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| SMILES | Clc1ccc2cnccc2c1 |
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| InChIKey | NCJNOOHAQSFEJN-UHFFFAOYSA-N |
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| PubChem CID | 12371746 |
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| EC No. | 103-923-8 |
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| DTXSID | DTXSID90494878 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
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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 | 39-40 °C |
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| Siedepunkt | 38-39 °C |
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| Dichte | 1.270±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C |
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| pKa (Säurekonstante) | 4.83±0.10(Predicted) |
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| InChI | InChI=1S/C9H6ClN/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-6H |
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| InChIKey | NCJNOOHAQSFEJN-UHFFFAOYSA-N |
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| SMILES | C1C2=C(C=C(Cl)C=C2)C=CN=1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Zollcode | 2933499090 |
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