Identifikatoren & physikalische Daten
| CAS No. | 54686-91-8 |
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| Summenformel | C6H4Cl3N |
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| Durchschnittliche Molmasse | 196,5 g/mol |
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| Monoisotopische Masse | 194,94093217 g/mol |
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| SMILES | Nc1ccc(Cl)c(Cl)c1Cl |
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| InChIKey | RRJUYQOFOMFVQS-UHFFFAOYSA-N |
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| PubChem CID | 12464 |
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| EC No. | 211-215-6 |
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| DTXSID | DTXSID2022098 |
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| Lokaler Name | Chloranilin, tri |
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Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
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| Polarare Oberfläche (TPSA) | 26 |
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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 | 10 |
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| Formalladung | 0 |
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| Komplexität | 120 |
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| Stoffklassen | Textile |
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| Schmelzpunkt | 67 - 68°C |
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| Lagerbedingungen | -20°C Freezer, Under inert atmosphere |
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| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
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| Aggregatzustand | Solid |
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| Farbe | White to Off-White |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, 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. 3 (97.5%) |
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