HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 76280Erstellt: 25. Oktober 2026
p-Tolylacetonitril
2-(p-tolyl)acetonitrile · 4-METHYLPHENYLACETONITRILE · Benzeneacetonitrile, 4-methyl- · P-XYLYL CYANIDE · α-Cyano-p-xylene · P-TOLYACETONITRILE · P-TOLYLACETONITRILE · 4-TOLYLACETONITRILE
https://huagongshe.com/de/chemical/76280
Identifikatoren & physikalische Daten
| CAS No. | 2947-61-7 |
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| Summenformel | C9H9N |
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| Durchschnittliche Molmasse | 131,17 g/mol |
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| Monoisotopische Masse | 131,07349929 g/mol |
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| SMILES | Cc1ccc(CC#N)cc1 |
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| InChIKey | RNHKXHKUKJXLAU-UHFFFAOYSA-N |
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| PubChem CID | 76280 |
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| EC No. | 220-963-2 |
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| DTXSID | DTXSID90183674 |
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| Lokaler Name | p-Tolylacetonitril |
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Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
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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 | 1 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 134 |
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| SpringerMaterials Properties | Optical coefficient |
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| LogP (Verteilungskoeffizient) | 1.67 |
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| Schmelzpunkt | 18 °C(lit.) |
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| Siedepunkt | 242-243 °C(lit.) |
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| Dichte | 0.992 g/mL at 25 °C(lit.) |
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| Brechungsindex | n20/D 1.519(lit.) |
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| Flammpunkt | 223 °F |
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| Lagerbedingungen | Inert atmosphere,Room Temperature |
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| Aggregatzustand | Liquid |
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| Wichte | 0.99 |
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| Farbe | Clear colorless to faintly yellow |
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| BRN | 1099645 |
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| InChI | InChI=1S/C9H9N/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6H2,1H3 |
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| InChIKey | RNHKXHKUKJXLAU-UHFFFAOYSA-N |
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| SMILES | C1(CC#N)=CC=C(C)C=C1 |
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| CAS Datenbank | 2947-61-7(CAS DataBase Reference) |
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| NIST chemische Informationen | Benzeneacetonitrile, 4-methyl-(2947-61-7) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (12.8%): 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | 4-Toluylacetonitrile: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Acute Tox. 4 (12.8%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 3276 6.1/PG 3 |
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| Zollcode | 29269095 |
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| R-Sätze (R) | 20/21/22-36/37/38 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 26-37/39-36/37-24/25 |
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| Gefahrenklasse | 6.1Aquatic Chronic 3 |
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| Verpackungsgruppe | III |
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| Lagerklasse | 10 - Combustible liquids |
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