Identifikatoren & physikalische Daten
| CAS No. | 42961-88-6 |
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| Summenformel | C7H10ClNO |
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| Durchschnittliche Molmasse | 159,61 g/mol |
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| Monoisotopische Masse | 159,04509162 g/mol |
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| SMILES | Cc1cc(O)ccc1N.Cl |
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| InChIKey | SVBTYYPNKULGBX-UHFFFAOYSA-N |
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| PubChem CID | 459234 |
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| EC No. | 623-332-3 |
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| DTXSID | DTXSID801337971 |
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Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 46,3 |
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| H-Brücken-Donoren | 3 |
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| H-Brücken-Akzeptoren | 2 |
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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 | 94,9 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 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 (100%) |
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