Identifikatoren & physikalische Daten
| CAS No. | 29460-97-7 |
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| Summenformel | C10H8N2 |
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| Durchschnittliche Molmasse | 156,18 g/mol |
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| Monoisotopische Masse | 156,06874826 g/mol |
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| SMILES | c1ccc(-c2cnccn2)cc1 |
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| InChIKey | LNJZJDLDXQQJSG-UHFFFAOYSA-N |
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| PubChem CID | 642870 |
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| EC No. | 882-355-9 |
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| DTXSID | DTXSID30349090 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
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| Polarare Oberfläche (TPSA) | 25,8 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 130 |
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| LogP (Verteilungskoeffizient) | 2.07 |
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| Schmelzpunkt | 75 °C |
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| Siedepunkt | 276.2±20.0 °C(Predicted) |
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| Dichte | 1.106±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 0.54±0.10(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): 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)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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| R-Sätze (R) | 22-41 |
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| Gefahrensymbole | Xn |
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