HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-Butylisocyanid
BUTYL ISOCYANIDE · 1-Isocyanobutane · n-C4H9NC · HANSA ISN-0088 · Butylisonitrile · butyl carbylamine · N-BUTYLISOCYANIDE · 1-BUTYLISOCYANIDE
Identifikatoren & physikalische Daten
| CAS No. | 2769-64-4 |
|---|---|
| Summenformel | C5H9N |
| Durchschnittliche Molmasse | 83,13 g/mol |
| Monoisotopische Masse | 83,07349929 g/mol |
| SMILES | [C-]#[N+]CCCC |
| InChIKey | FSBLVBBRXSCOKU-UHFFFAOYSA-N |
| PubChem CID | 76008 |
| EC No. | 220-458-7 |
| DTXSID | DTXSID50182047 |
| Lokaler Name | N-Butylisocyanid |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 4,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 57,6 |
| Stoffklassen | Nitrogen Compounds -> Other Nitrogen Compounds |
| Physical Description | Clear colorless liquid with a stench[Sigma-Aldrich MSDS] |
| Siedepunkt | 117.25°C (estimate) |
| Dichte | 0.795 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.396(lit.) |
| Flammpunkt | 69 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to yellow |
| Stabilität | store cold |
| InChI | 1S/C5H9N/c1-3-4-5-6-2/h3-5H2,1H3 |
| InChIKey | FSBLVBBRXSCOKU-UHFFFAOYSA-N |
| SMILES | CCCC[N+]#[C-] |
| CAS Datenbank | 2769-64-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | May cause irritationHarmful by ingestion, inhalation, and skin absorption[Sigma-Aldrich MSDS] See Ethyl isocyanide. |
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| Unerwünschte Wirkungen | Other Poison - Chemical Asphyxiant |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1993 3/PG 2 |
| Zollcode | 29299000 |
| R-Sätze (R) | 11-20/21/22-37 |
| Gefahrensymbole | F,Xn |
| Sicherheitshinweise (S) | 7-16-23-36/37/39 |
| Lagerklasse | 3 - Flammable liquids |
| Gefahrenklasse | Acute Tox. 4 OralFlam. Liq. 2 |
Anwendungen & Verwendung
Verwenden
Butyl isocyanide was used to study the crystal structure of carbon monoxide dehydrogenases-II isolated from Carboxydothermus hydrogenoformans. It was used to probe the mechanism of NO activation of the hemoprotein soluble guanylate cyclase. .