1-(1-Methylethyl)-1H-imidazole
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1-(1-Methylethyl)-1H-imidazole
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CAS No:
4532-96-1
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Formula:
C6H10N2
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Chemical Name:
1-(1-Methylethyl)-1H-imidazole
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Synonyms:
1H-Imidazole,1-(1-methylethyl)-;Imidazole,1-isopropyl-;1-(1-Methylethyl)-1H-imidazole;1-Isopropylimidazole;1-Isopropyl-1H-imidazole;N-Isopropylimidazole;1-(Propan-2-yl)-1H-imidazole;1-Propan-2-ylimidazole
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CAS No:
Characteristics
17.8
0.6
light yellow or colorless transparent liquid
1.0±0.1 g/cm3
62 °C @ Press: 1 Torr
76.7±18.7 °C
1.513
Safety Information
R36/37/38
S25-S36/37/39
Xi: Irritant;
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362
H315
|Warning|H227 (50%): Combustible liquid [Warning Flammable liquids]|P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-(1-Methylethyl)-1H-imidazole Use and Manufacturing
General procedure: Imidazole (3)/benzimidazole(5) (10 mmol) was dissolved in 10 ml of DMSO and solid NaOH(15 mmol) was then added it. The resulting pale yellow suspensionwas stirred in air at room temperature for 1.5 h, after which, thealkyl bromides or benzyl chlorides (15 mmol) were added andallowed to react until completion (TLC). Water (50 ml) was thenadded and the products were extracted with ethyl acetate. Combinedorganic layers were washed several times with water, thenwith brine, dried over Na2SO4 and subjected to chromatographicpurification over silica (100–200 mesh) using MeOH: EtOAc 5:95(v/v) as the mobile phase. Compounds 4a-f were isolated as yellowoils whereas, the compounds 7a-e were white solid. Spectroscopic data of the N-alkyl imidazoles are in accord with earlier literatureand thus are not shown here [30].A) EXAMPLE 4
1H-Imidazole, 1-(1-methylethyl)-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Computed Properties
Molecular Weight:110.16
XLogP3:0.6
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:110.084398327
Monoisotopic Mass:110.084398327
Topological Polar Surface Area:17.8
Heavy Atom Count:8
Complexity:70.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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