1-Methyl-3-octylimidazolium Bromide - CAS 61545-99-1
Catalog: |
BB031174 |
Product Name: |
1-Methyl-3-octylimidazolium Bromide |
CAS: |
61545-99-1 |
Synonyms: |
1-methyl-3-octylimidazol-1-ium;bromide; 1-methyl-3-octylimidazol-1-ium;bromide |
IUPAC Name: | 1-methyl-3-octylimidazol-1-ium;bromide |
Description: | 1-Methyl-3-octylimidazolium Bromide (CAS# 61545-99-1) is a useful research chemical. |
Molecular Weight: | 275.23 |
Molecular Formula: | C12H23BrN2 |
Canonical SMILES: | CCCCCCCCN1C=C[N+](=C1)C.[Br-] |
InChI: | InChI=1S/C12H23N2.BrH/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;/h10-12H,3-9H2,1-2H3;1H/q+1;/p-1 |
InChI Key: | URVSXZLUUCVGQM-UHFFFAOYSA-M |
Melting Point: | 88 °C |
Purity: | > 98.0 % (T) (HPLC) |
Appearance: | Light yellow to yellow to orange clear liquid |
Storage: | Store under inert gas |
LogP: | -0.32290 |
Refractive Index: | 1.44 |
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 |
22770951 | 20120901 | Apoptosis caused by imidazolium-based ionic liquids in PC12 cells | Ecotoxicology and environmental safety |
22458964 | 20120504 | Stir bar sorptive extraction and high performance liquid chromatographic determination of carvedilol in human serum using two different polymeric phases and an ionic liquid as desorption solvent | Journal of chromatography. A |
22266801 | 20120410 | NMR investigation of imidazolium-based ionic liquids and their aqueous mixtures | Chemphyschem : a European journal of chemical physics and physical chemistry |
21912977 | 20120101 | Acute toxicity and responses of antioxidant systems to 1-methyl-3-octylimidazolium bromide at different developmental stages of goldfish | Ecotoxicology (London, England) |
21944958 | 20120101 | Immunotoxicity of 1-methyl-3-octylimidazolium bromide on brocarded carp (Cyprinus carpio L.) | Ecotoxicology and environmental safety |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 274.10446 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 274.10446 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 8.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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