HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 94301Erstellt: 27. Oktober 2026
3-Methyl-2-butennitril
3-methylbut-2-enenitrile · EINECS 225-336-7 · METHYLCROTONITRILE · 3-Methylcrotononitrile · 3-methyl-2-butenenitrile · 2-Butenenitrile, 3-methyl- · 3-METHYLCROTONONITRILE 96+%
https://huagongshe.com/de/chemical/94301
Identifikatoren & physikalische Daten
| CAS No. | 4786-24-7 |
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| Summenformel | C5H7N |
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| Durchschnittliche Molmasse | 81,12 g/mol |
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| Monoisotopische Masse | 81,05784922 g/mol |
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| SMILES | CC(C)=CC#N |
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| InChIKey | AUGKLUNRHYPDAM-UHFFFAOYSA-N |
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| PubChem CID | 94301 |
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| EC No. | 225-336-7 |
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| DTXSID | DTXSID40197307 |
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| Lokaler Name | 3-Methyl-2-butennitril |
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Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
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| Polarare Oberfläche (TPSA) | 23,8 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 6 |
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| Formalladung | 0 |
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| Komplexität | 98,4 |
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| SpringerMaterials Properties | Coriolis coupling |
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| Siedepunkt | 141.6-141.8 °C(Press: 757 Torr) |
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| Dichte | 1.43720 g/cm3 |
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| InChI | InChI=1S/C5H7N/c1-5(2)3-4-6/h3H,1-2H3 |
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| InChIKey | AUGKLUNRHYPDAM-UHFFFAOYSA-N |
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| SMILES | C(#N)/C=C(/C)\C |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P316, P303+P361+P353, P321, P330, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | 3-Methylcrotononitrile: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
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| Alarmwort | Achtung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H226 |
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