HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 1502001Erstellt: 24. Oktober 2026
2-(3-Chloro-4-methoxyphenyl)acetonitrile
3-Chloro-4-methoxybenzyl cyanide · 3-Chloro-4-methoxyphenylacetonitrile · 3-Chloro-4-methoxybenzeneacetonitrile · Benzeneacetonitrile, 3-chloro-4-methoxy-
https://huagongshe.com/de/chemical/1502001
Identifikatoren & physikalische Daten
| CAS No. | 7569-58-6 |
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| Summenformel | C9H8ClNO |
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| Durchschnittliche Molmasse | 181,62 g/mol |
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| Monoisotopische Masse | 181,02944156 g/mol |
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| SMILES | COc1ccc(CC#N)cc1Cl |
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| InChIKey | CDNWEVUZHGBTIV-UHFFFAOYSA-N |
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| PubChem CID | 1502001 |
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| EC No. | 117-713-9 |
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| DTXSID | DTXSID70363578 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
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| Polarare Oberfläche (TPSA) | 33 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 186 |
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| Lagerbedingungen | Store at room temperature |
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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, P317, 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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