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1-(1H-Imidazol-1-yl)ethanone

1-(1H-Imidazol-1-yl)ethanone structure

CAS No:
2466-76-4
Formula:
C5H6N2O
Chemical Name:
1-(1H-Imidazol-1-yl)ethanone
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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Description

white to beige or light tan adhering crystals or

N-acetylimidazole is a N-acylimidazole.

1-(1H-Imidazol-1-yl)ethanone Basic Attributes

Molecular Weight：

110.11

Exact Mass：

110.11

BRN：

108425

EC Number：

219-577-7

UNII：

ZMP8X1Y11G

DSSTox ID：

DTXSID8062440

HScode：

2933290090

Characteristics

PSA：

34.9

XLogP3：

-0.34

Appearance：

White to beige or light tan Adhering Crystals or Crystalline Powder

Density：

1.1±0.1 g/cm3

Melting Point：

99-105 °C

Boiling Point：

222.0±23.0 °C at 760 mmHg

Flash Point：

88.0±22.6 °C

Refractive Index：

1.552

Water Solubility：

Hydrolyzes in water. Solubility in methanol (almost transparency).water: soluble 50mg/mL, clear, colorless

Storage Conditions：

Storeat0

Vapor Pressure：

0.104mmHg at 25°C

Toxicity：

Abdominal cavity-mouse LDL0: 250 mg/kg

Flammability characteristics：

Flammable; decomposes by heating to release toxic nitrogen oxide fumes

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

24/25

RTECS Number：

NI3400000

Storage features：

Warehouse ventilated, low temperature and dry

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|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.

Toxicity

Toxicity class：

highly toxic

Drug Information

MeSH Entry Terms：

acetylimidazole

1-(1H-Imidazol-1-yl)ethanone Use and Manufacturing

Methods of 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.

Uses

Acetylating agent for capping unreacted amino groups in peptide synthesis.

Manufacturing Info：

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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Guide of 1-(1H-Imidazol-1-yl)ethanone

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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1-(1H-Imidazol-1-yl)ethanone

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