3-Acetylquinoline - CAS 33021-53-3

Catalog:	BB021525
Product Name:	3-Acetylquinoline
CAS:	33021-53-3
Synonyms:	1-(3-quinolinyl)ethanone; 1-quinolin-3-ylethanone

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Computed Properties

IUPAC Name:	1-quinolin-3-ylethanone
Description:	3-Acetylquinoline (CAS# 33021-53-3) is a useful research chemical, a reagent used in the Friedlander synthesis of quinolines.
Molecular Weight:	171.20
Molecular Formula:	C11H9NO
Canonical SMILES:	CC(=O)C1=CC2=CC=CC=C2N=C1
InChI:	InChI=1S/C11H9NO/c1-8(13)10-6-9-4-2-3-5-11(9)12-7-10/h2-7H,1H3
InChI Key:	VMZYRGLKJCRGST-UHFFFAOYSA-N
Appearance:	Solid
LogP:	2.43740

Publication Number	Title	Priority Date
CN-112390790-A	Methyl quinoline-benzopyrylium derivative and preparation method and application thereof	20201130
CN-112479998-A	Dihydroquinoline fluorescent probe and preparation method and application thereof	20201116
CN-111099986-A	Hydrogenation process	20191213
CN-110627610-A	Method for synthesizing alkyne by catalyzing asymmetric cross coupling	20190829
KR-20210017039-A	Heterocyclic compound and organic light emitting device comprising the same	20190806

PMID	Publication Date	Title	Journal
21583506	20090708	3-Acetyl-6-chloro-1-ethyl-4-phenyl-quinolin-2(1H)-one	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

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GHS Hazard Statement:	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]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	202
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.068413911
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	171.068413911
Rotatable Bond Count:	1
Topological Polar Surface Area:	30
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8