HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Butylimidazol
1-N-butylimidazole · SKL1559 · 1-Butyl- · 1-N-ButyL · 1-BUTYLIMIDAZOLE · N-BUTYL IMIDAZOLE · Butyl-N-imidazole · 1-buthylimidazole
Identifikatoren & physikalische Daten
| CAS No. | 4316-42-1 |
|---|---|
| Summenformel | C7H12N2 |
| Durchschnittliche Molmasse | 124,18 g/mol |
| Monoisotopische Masse | 124,10004838 g/mol |
| SMILES | CCCCn1ccnc1 |
| InChIKey | MCMFEZDRQOJKMN-UHFFFAOYSA-N |
| PubChem CID | 61347 |
| ChEMBL | CHEMBL97667 |
| EC No. | 224-335-9 |
| DTXSID | DTXSID8073976 |
| Lokaler Name | 1-Butylimidazol |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 73,3 |
| Stoffklassen | Nitrogen Compounds -> Imidazoles |
| Physical Description | N,n-butyl imidazole appears as a colorless to light yellow colored liquid. Insoluble in water and more dense than water. Hence sinks in water. Contact may irritate skin, eyes or mucous membranes. Toxic by ingestion, inhalation or skin absorption.Colorless to light yellow liquid[CAMEO] Colorless liquid with an amine-like odor[Alfa Aesar MSDS] |
| Siedepunkt | 114-116 °C12 mm Hg(lit.) |
| Dichte | 0.945 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.480(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Soluble in Chloroform, Methanol. |
| pKa (Säurekonstante) | 7.09±0.10(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow to Light orange |
| Wichte | 0.948 |
| Explosionsgrenze | 2.7-15.7%(V) |
| BRN | 109499 |
| InChI | 1S/C7H12N2/c1-2-3-5-9-6-4-8-7-9/h4,6-7H,2-3,5H2,1H3 |
| InChIKey | MCMFEZDRQOJKMN-UHFFFAOYSA-N |
| SMILES | CCCCn1ccnc1 |
| CAS Datenbank | 4316-42-1(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Butylimidazole(4316-42-1) |
| EPA chemische Informationen | 1-Butylimidazole (4316-42-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH315 (96.2%): Causes skin irritation [Warning Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| DOT-Kennzeichnung | Poison |
| Brandgefahren | Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]: |
| Gesundheitsgefahren | Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]: |
| Gefahrenübersicht | May cause irritationToxic by ingestion, inhalation, and skin absorption[CAMEO] An irritant that may cause serious eye injuryHighly toxic by inhalation[Alfa Aesar MSDS] |
| Reaktive Gruppe | Amines, Phosphines, and Pyridines |
| Reactivity Profile | N,N-BUTYL IMIDAZOLE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides. |
| DOT Hazard Classification | N-n-Butyl imidazoleUN2690Div 6.1 Poisonous materials (49 eCFR § 173.132)PG II: the degree of danger presented by the material is medium |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Skin Irrit. 2 (96.2%) |
| Brandbekämpfung | Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]: |
| Erste Hilfe | Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]: |
| Freisetung ohne Brand | Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]: |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]: |
| Toxicity Data | LC50 (rat) = 110 mg/m3/4hr |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2690 |
| Zollcode | 29332990 |
| R-Sätze (R) | 37/38-41 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-39 |
| Gefahrenklasse | 6.1Acute Tox. 2 InhalationEye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
Anwendungen & Verwendung
Verwenden
1-Butylimidazole may be used in the synthesis of a heterocyclic mesomeric betaine. It was used in the synthesis of 1-(1-butyl-3-imidazolio)propane-3-sulfonate (BIm3S).