3-Benzyl-1-methylimidazolium Chloride - CAS 36443-80-8
Catalog: |
BB022970 |
Product Name: |
3-Benzyl-1-methylimidazolium Chloride |
CAS: |
36443-80-8 |
Synonyms: |
1-methyl-3-(phenylmethyl)imidazol-1-ium;chloride; 1-benzyl-3-methylimidazol-3-ium;chloride |
IUPAC Name: | 1-benzyl-3-methylimidazol-3-ium;chloride |
Description: | 3-Benzyl-1-methylimidazolium Chloride (CAS# 36443-80-8 ) is a useful research chemical. |
Molecular Weight: | 208.69 |
Molecular Formula: | C11H13ClN2 |
Canonical SMILES: | C[N+]1=CN(C=C1)CC2=CC=CC=C2.[Cl-] |
InChI: | InChI=1S/C11H13N2.ClH/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11;/h2-8,10H,9H2,1H3;1H/q+1;/p-1 |
InChI Key: | FCRZSGZCOGHOGF-UHFFFAOYSA-M |
Melting Point: | 80 °C |
Flash Point: | Not applicable |
Purity: | > 98.0 % (T) (HPLC) |
Appearance: | White to almost white powder to crystal |
Storage: | Store under inert gas, -20 °C |
MDL: | MFCD07784451 |
LogP: | -1.63510 |
Refractive Index: | n20/D 1.578 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21459366 | 20110515 | Conversion of hexose into 5-hydroxymethylfurfural in imidazolium ionic liquids with and without a catalyst | Carbohydrate research |
21463007 | 20110428 | Ionic liquid modifies the lower critical solution temperature (LCST) of poly(N-isopropylacrylamide) in aqueous solution | The journal of physical chemistry. B |
21152617 | 20110221 | Activity and stability of α-chymotrypsin in biocompatible ionic liquids: enzyme refolding by triethyl ammonium acetate | Physical chemistry chemical physics : PCCP |
21584288 | 20110101 | Induction of the multixenobiotic/multidrug resistance system in HeLa cells in response to imidazolium ionic liquids | Acta biochimica Polonica |
20405882 | 20100513 | Measurements and molecular interactions for N,N-dimethylformamide with ionic liquid mixed solvents | The journal of physical chemistry. B |
Complexity: | 152 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.0767261 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.0767261 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 8.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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