1-(1H-Imidazol-1-yl)ethanone
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1-(1H-Imidazol-1-yl)ethanone
structure -
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CAS No:
2466-76-4
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Formula:
C5H6N2O
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Chemical Name:
1-(1H-Imidazol-1-yl)ethanone
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Synonyms:
Ethanone,1-(1H-imidazol-1-yl)-;Imidazole,1-acetyl-;1H-Imidazole,1-acetyl-;1-(1H-Imidazol-1-yl)ethanone;Acetylimidazole;N-Acetylimidazole;1-Acetylimidazole;1-Acetyl-1H-imidazole;1-(1H-Imidazol-1-yl)ethan-1-one
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CAS No:
Description
white to beige or light tan adhering crystals or
N-acetylimidazole is a N-acylimidazole.
1-(1H-Imidazol-1-yl)ethanone Basic Attributes
110.11
110.11
108425
219-577-7
ZMP8X1Y11G
DTXSID8062440
2933290090
Characteristics
34.9
-0.34
White to beige or light tan Adhering Crystals or Crystalline Powder
1.1±0.1 g/cm3
99-105 °C
222.0±23.0 °C at 760 mmHg
88.0±22.6 °C
1.552
Hydrolyzes in water. Solubility in methanol (almost transparency).water: soluble 50mg/mL, clear, colorless
Storeat0
0.104mmHg at 25°C
Abdominal cavity-mouse LDL0: 250 mg/kg
Flammable; decomposes by heating to release toxic nitrogen oxide fumes
Safety Information
NONH for all modes of transport
3
36/37/38
24/25
NI3400000
Warehouse ventilated, low temperature and dry
Stable under normal temperatures and pressures.
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-(1H-Imidazol-1-yl)ethanone Use and Manufacturing
Reaction of imidazole with isopropenyl acetate In a 50 ml round flask, add 0.2 g (0.03 mol) of imidazole, 20 ml of isopropenyl acetate and a few drops of concentrated sulfuric acid. The mixture was incubated at 60°C for 1h. A small amount of isopropenyl acetate and acetone were removed by distillation. The residue is treated with sodium carbonate. Pour out the liquid. Evaporate to dryness in an air bath. The crude product was 3.1g, the yield was 94%, and the melting point was 93-96°C. It is now recrystallized from isopropenyl acetate with a melting point of 101.5102.5°C.
Acetylating agent for capping unreacted amino groups in peptide synthesis.
Ethanone, 1-(1H-imidazol-1-yl)-: INACTIVE
Computed Properties
Molecular Weight:110.11
XLogP3:-0.3
Hydrogen Bond Acceptor Count:2
Exact Mass:110.048012819
Monoisotopic Mass:110.048012819
Topological Polar Surface Area:34.9
Heavy Atom Count:8
Complexity:103
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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