HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 87302Erstellt: 26. Oktober 2026
2-Hydroxy-4-(methylthio)butyronitril
2-Hydroxy-4-(methylthio)butanenitrile · Adenosyl Methionine Impurity 11 · 2-hydroxy-4-(methylthio)butyronitrile · Butanenitrile, 2-hydroxy-4-(methylthio)- · 2-Hydroxy-4-(methylmercapto)-butyronitrile
https://huagongshe.com/de/chemical/87302
Identifikatoren & physikalische Daten
| CAS No. | 17773-41-0 |
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| Summenformel | C5H9NOS |
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| Durchschnittliche Molmasse | 131,2 g/mol |
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| Monoisotopische Masse | 131,04048508 g/mol |
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| SMILES | CSCCC(O)C#N |
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| InChIKey | VWWOJJANXYSACS-UHFFFAOYSA-N |
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| PubChem CID | 87302 |
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| EC No. | 241-756-3 |
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| DTXSID | DTXSID80884986 |
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| Lokaler Name | 2-Hydroxy-4-(methylthio)butyronitril |
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Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
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| Polarare Oberfläche (TPSA) | 69,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 8 |
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| Formalladung | 0 |
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| Komplexität | 95 |
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| Siedepunkt | 279.6±25.0 °C(Predicted) |
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| Dichte | 1.128±0.06 g/cm3(Predicted) |
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| Dampfdruck | 0.075Pa at 24.85℃ |
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| pKa (Säurekonstante) | 11.01±0.20(Predicted) |
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| Löslichkeit | 110g/L at 25℃ |
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| LogP (Verteilungskoeffizient) | -0.62 at 20℃ |
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| EPA chemische Informationen | Butanenitrile, 2-hydroxy-4-(methylthio)- (17773-41-0) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH300+H330 (100%): Fatal if swallowed or if inhaled [Danger Acute toxicity, oralacute toxicity, inhalation]H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation]H401 (100%): Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard]H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P260, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P304+P340, P305+P351+P338, P316, P320, P321, P330, P337+P317, P391, 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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| Regulatorische Informationen | Status: Active Update: 06-02-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/10238 |
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| Hazard Classes and Categories | Acute Tox. 2 (100%)Eye Irrit. 2 (100%)Aquatic Chronic 2 (100%) |
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| TSCA-Inventar-Status | TSCA listed |
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