1-Butylimidazol
Butylimidazole
Grundinformationen
- CAS
4316-42-1- Standard-SMILES
CCCCn1ccnc1- InChIKey
MCMFEZDRQOJKMN-UHFFFAOYSA-N- Summenformel
- C7H12N2
- Durchschnittliche Molmasse
- 124,18 g/mol
- Monoisotopische Masse
- 124,10004838
Überblick
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.
Namen und Bezeichner
- Bevorzugter Name
- Butylimidazole
- IUPAC
- 1-butylimidazole
- Lokaler Name
- 1-Butylimidazol
- Englischer Name
- 1-Butylimidazole
- Summenformel
- C7H12N2
- Molmasse
- 124.18
Namen und Synonyme
1-BUTYLIMIDAZOLE4316-42-11-butyl-1H-imidazole1H-Imidazole, 1-butyl-1-N-ButylimidazoleButylimidazoleC7JXC99E8FNSC-158165DTXSID8073976butyl imidazoleRefChem:571854DTXCID7040239
Weitere Namen anzeigen
SKL15591-Butyl-1-N-ButyLN-BUTYL IMIDAZOLEButyl-N-imidazole1-buthylimidazoleN-Butyl-1H-imidazole
224-335-9N-ButylimidazoleN-(n-Butyl)imidazoleMFCD00042753N-n-butylimidazoleEINECS 224-335-9n-n-butyl imidazoleNSC158165
Datenbank-Bezeichner
- CAS
4316-42-1- PubChem CID
- 61347
- DTXSID
DTXSID8073976- ChEMBL
CHEMBL97667- UNII
- C7JXC99E8F
- EC Number
- 224-335-9
- Nikkaji
- J61.488B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 17,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 73,3
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen 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]
Physikochemische Eigenschaften
- Siedepunkt
- 114 · 114-116 °C12 mm Hg(lit.)
- Dichte
- 0.945 g/mL · 0.945 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.480(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Refrigerator
- Löslichkeit
- Soluble in Chloroform, Methanol.
- pka
- 7.09 · 7.09±0.10(Predicted)
- Aggregatzustand
- clear liquid
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H315 (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.
Gefahrenhinweise
DOT LabelPoison
Fire HazardsExcerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:
Health HazardsExcerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:
Hazards SummaryMay cause irritation; Toxic by ingestion, inhalation, and skin absorption; [CAMEO] An irritant that may cause serious eye injury; Highly toxic by inhalation; [Alfa Aesar MSDS]
Reactive GroupAmines, 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 imidazole
UN2690
Div 6.1 Poisonous materials (49 eCFR § 173.132)
Chemie und Industrie
Anwendungen
Verwenden1-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).
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
45
Notizen zur Verbindung
Wird geladen…