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HCID 590183Erstellt: 27. Oktober 2026
4-Hydroxy-2,6-dimethylbenzonitrile
4-HYDROXY-2,6-DIMETHYLBENZONITRILE · 2,6-DIMETHYL-4-HYDROXYBENZONITRILE · Benzonitrile, 4-hydroxy-2,6-dimethyl- · 4-HYDROXY-2,6-DIMETHYLBENZONITRILE ---POWDER, 98%--- · 4-Cyano-3,5-dimethylphenol, 2-Cyano-5-hydroxy-m-xylene
https://huagongshe.com/de/chemical/590183
Identifikatoren & physikalische Daten
| CAS No. | 58537-99-8 |
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| Summenformel | C9H9NO |
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| Durchschnittliche Molmasse | 147,17 g/mol |
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| Monoisotopische Masse | 147,06841391 g/mol |
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| SMILES | Cc1cc(O)cc(C)c1C#N |
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| InChIKey | KZEJTKHRBQWACL-UHFFFAOYSA-N |
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| PubChem CID | 590183 |
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| ChEMBL | CHEMBL3765491 |
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| EC No. | 875-173-6 |
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| DTXSID | DTXSID70343512 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
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| Polarare Oberfläche (TPSA) | 44 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 169 |
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| Schmelzpunkt | 176 °C |
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| Siedepunkt | 313.7±30.0 °C(Predicted) |
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| Dichte | 1.13±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | crystalline powder |
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| pKa (Säurekonstante) | 8.08±0.23(Predicted) |
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| Farbe | Off-white / Beige |
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| CAS Datenbank | 58537-99-8(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)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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| UN-Transportnummer | 3276 |
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| Zollcode | 29269090 |
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| R-Sätze (R) | 20/21/22-36/37/38-36 |
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| Gefahrensymbole | Xn,Xi |
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| hazard_note | Harmful |
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| Sicherheitshinweise (S) | 26-36/37/39-36/37-22 |
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