1-Butyl-3-methylimidazolium Bromide - CAS 85100-77-2
Catalog: |
BB037471 |
Product Name: |
1-Butyl-3-methylimidazolium Bromide |
CAS: |
85100-77-2 |
Synonyms: |
1-butyl-3-methylimidazol-3-ium;bromide; 1-butyl-3-methylimidazol-3-ium;bromide |
IUPAC Name: | 1-butyl-3-methylimidazol-3-ium;bromide |
Description: | 1-Butyl-3-methylimidazolium bromide is a neutral ionic liquid. It can be used as a solvent for the preparation of 1,2,4,5-substituted imidazoles. |
Molecular Weight: | 219.12 |
Molecular Formula: | C8H15BrN2 |
Canonical SMILES: | CCCCN1C=C[N+](=C1)C.[Br-] |
InChI: | InChI=1S/C8H15N2.BrH/c1-3-4-5-10-7-6-9(2)8-10;/h6-8H,3-5H2,1-2H3;1H/q+1;/p-1 |
InChI Key: | KYCQOKLOSUBEJK-UHFFFAOYSA-M |
Melting Point: | 37 °C |
Flash Point: | Not applicable |
Purity: | > 98.0 % (T) (HPLC) |
Appearance: | White to orange to green powder to lump |
Storage: | Store under inert gas, -20 °C |
MDL: | MFCD03427611 |
LogP: | -1.88330 |
Refractive Index: | n20/D 1.428 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22980805 | 20121215 | Optimization of ionic liquid based ultrasonic assisted extraction of puerarin from Radix Puerariae Lobatae by response surface methodology | Food chemistry |
22980836 | 20121215 | Development of an ionic liquid-based microwave-assisted method for simultaneous extraction and distillation for determination of proanthocyanidins and essential oil in Cortex cinnamomi | Food chemistry |
23051856 | 20121121 | Spontaneous encapsulation behavior of ionic liquid into carbon nanotube | Nanoscale |
22944423 | 20121106 | Homogeneous isolation of nanocellulose from sugarcane bagasse by high pressure homogenization | Carbohydrate polymers |
22944426 | 20121106 | Radiation effects on microcrystalline cellulose in 1-butyl-3-methylimidazolium chloride ionic liquid | Carbohydrate polymers |
Complexity: | 93.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.04186 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.04186 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 8.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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