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Cyancyclobutan
Cyanocyclobutane · Cyclobutyl cyanide · Cyclobutyronitrile · Cyclobutadiene nitrile · CYCLOBUTANECARBONITRILE · Cyclobutanecarbonitrile,97% · Cyclobutanecarbonitrile - C5653 · Cyanocyclobutane~Cyclobutyl cyanide
Identifikatoren & physikalische Daten
| CAS No. | 4426-11-3 |
|---|---|
| Summenformel | C5H7N |
| Durchschnittliche Molmasse | 81,12 g/mol |
| Monoisotopische Masse | 81,05784922 g/mol |
| SMILES | N#CC1CCC1 |
| InChIKey | GFBLFDSCAKHHGX-UHFFFAOYSA-N |
| PubChem CID | 78148 |
| EC No. | 224-606-1 |
| DTXSID | DTXSID30196086 |
| Lokaler Name | Cyancyclobutan |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 83,4 |
| SpringerMaterials Properties | Coriolis coupling |
| Siedepunkt | 144-146°C |
| Dichte | 0,868 g/cm3 |
| Brechungsindex | 1.4325 |
| Flammpunkt | 42°C |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | solid |
| Löslichkeit | Slightly soluble in water. |
| BRN | 2037573 |
| InChI | InChI=1S/C5H7N/c6-4-5-2-1-3-5/h5H,1-3H2 |
| InChIKey | GFBLFDSCAKHHGX-UHFFFAOYSA-N |
| SMILES | C1(C#N)CCC1 |
| CAS Datenbank | 4426-11-3(CAS DataBase Reference) |
| NIST chemische Informationen | Cyclobutanecarbonitrile(4426-11-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (88.9%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P321, P330, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (88.9%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| UN-Transportnummer | 3275 |
| Zollcode | 2926907090 |
| R-Sätze (R) | 11-20/21/22-36-25 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 3/7-9-16-36/37/39-45-26 |
| Gefahrenklasse | 6.1Acute Tox. 3 OralEye Irrit. 2 |
| Verpackungsgruppe | II |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
It is used for research or analysis use only, as pharmaceutical intermediate.