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HCID 306444Erstellt: 27. Oktober 2026
2-(4-Chlorophenoxy)acetonitrile
4-CHLOROPHENOXYACETONITRILE · 4-Chloro-alpha-cyanoanisole · 4-CHLORO-O-CYANOMETHYLPHENOL · 2-(4-CHLOROPHENOXY)ACETONITRILE · 4-Chlorophenoxyacetonitrile 98% · 4-Chlorophenoxyacetonitrile,98% · Acetonitrile, 2-(4-chlorophenoxy)- · 3598-13-8 2-(4-Chlorophenoxy)acetonitrile C8H6ClNO
https://huagongshe.com/de/chemical/306444
Identifikatoren & physikalische Daten
| CAS No. | 3598-13-8 |
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| Summenformel | C8H6ClNO |
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| Durchschnittliche Molmasse | 167,59 g/mol |
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| Monoisotopische Masse | 167,01379149 g/mol |
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| SMILES | N#CCOc1ccc(Cl)cc1 |
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| InChIKey | YUGDKEWUYZXXRU-UHFFFAOYSA-N |
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| PubChem CID | 306444 |
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| EC No. | 628-918-2 |
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| DTXSID | DTXSID40308436 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
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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 | 11 |
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| Formalladung | 0 |
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| Komplexität | 155 |
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| Schmelzpunkt | 45-49 °C (lit.) |
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| Siedepunkt | 149-150°C 15mm |
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| Dichte | 1.238±0.06 g/cm3(Predicted) |
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| Flammpunkt | 149-150°C/15mm |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | crystalline powder |
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| Farbe | Beige to light tan |
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| BRN | 2442163 |
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| InChI | InChI=1S/C8H6ClNO/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,6H2 |
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| InChIKey | YUGDKEWUYZXXRU-UHFFFAOYSA-N |
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| SMILES | C(#N)COC1=CC=C(Cl)C=C1 |
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| CAS Datenbank | 3598-13-8(CAS DataBase Reference) |
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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)Aggregated GHS information provided per 45 reports by companies from 4 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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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | 3276 |
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| Zollcode | 29269090 |
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| R-Sätze (R) | 20/21/22-36/37/38 |
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| Gefahrensymbole | Xn |
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| hazard_note | Harmful |
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| Sicherheitshinweise (S) | 36-36/37/39-26 |
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| Gefahrenklasse | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral |
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| Verpackungsgruppe | III |
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| Lagerklasse | 11 - Combustible Solids |
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