4-Acetylimidazole, 98%

Name: 4-Acetylimidazole
Brand: Chempure

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CAS Number

61985-25-9

Molecular Weight

110.11

Formula

C5H6N2O

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About this item

IUPAC name	1-(1H-imidazol-5-yl)ethanone
inchi	InChI=1S/C5H6N2O/c1-4(8)5-2-6-3-7-5/h2-3H,1H3,(H,6,7)
inchi key	TUFOJIVMBHBZRQ-UHFFFAOYSA-N
molecular formula	C5H6N2O
synonyms	4-Acetylimidazole 61985-25-9 1-(1h-imidazol-4-yl)ethanone 1-(1H-Imidazol-5-yl)ethanone 4-Acetyl-1H-imidazole

Computed Properties

Molecular Weight:	110.11 g/mol
XLogP3:	0.1
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	1
Exact Mass:	110.048012819 Da
Monoisotopic Mass:	110.048012819 Da
Topological Polar Surface Area:	45.8 Å²
Heavy Atom Count:	8
Formal Charge:	0
Complexity:	103
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (50%) Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

Product No: AA9378

4-Acetylimidazole, 98%

Product No: AA9378

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Product No: AA9378

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?