2-Acetylbenzofuran - CAS 1646-26-0

Catalog:	BB012126
Product Name:	2-Acetylbenzofuran
CAS:	1646-26-0
Synonyms:	1-(2-benzofuranyl)ethanone; 1-(1-benzofuran-2-yl)ethanone

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Computed Properties

IUPAC Name:	1-(1-benzofuran-2-yl)ethanone
Description:	2-Acetylbenzofuran (CAS# 1646-26-0) is a useful research chemical.
Molecular Weight:	160.17
Molecular Formula:	C10H8O2
Canonical SMILES:	CC(=O)C1=CC2=CC=CC=C2O1
InChI:	InChI=1S/C10H8O2/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-6H,1H3
InChI Key:	YUTFQTAITWWGFH-UHFFFAOYSA-N
Boiling Point:	110-113 °C (3 mmHg)
Melting Point:	70-72°C
Flash Point:	112.8°C
Density:	1.161 g/cm³
Solubility:	water, 1415 mg/L @ 25 °C (est)
Appearance:	White to yellow powder, crystals or crystalline powder
MDL:	MFCD00005849
LogP:	2.63540
Refractive Index:	1.588

Publication Number	Title	Priority Date
WO-2021098950-A1	Home care product or formulation	20191119
CN-110615771-A	Method for directly synthesizing furazan oxide from methyl ketone	20191114
US-2021053042-A1	Strongly lewis acidic metal-organic frameworks for continuous flow catalysis	20190821
WO-2021005239-A1	Method for the recovery or enrichment of flavours of fragrances from an aroma-laden gas phase and an aroma concentrate	20190711
CN-111808056-A	Dopamine D2Receptor selective agonists and their use in the treatment of disease	20190410

PMID	Publication Date	Title	Journal
22695127	20120715	Synthesis of benzofuran based 1,3,5-substituted pyrazole derivatives: as a new class of potent antioxidants and antimicrobials--a novel accost to amend biocompatibility	Bioorganic & medicinal chemistry letters
20088515	20100225	Substituted benzothiophene or benzofuran derivatives as a novel class of bone morphogenetic protein-2 up-regulators: synthesis, structure-activity relationships, and preventive bone loss efficacies in senescence accelerated mice (SAMP6) and ovariectomized rats	Journal of medicinal chemistry
21579877	20100130	1-(1-Benzofuran-2-yl)-3-(4-chloro-phen-yl)prop-2-en-1-one	Acta crystallographica. Section E, Structure reports online
19524435	20090801	Synthesis and evaluation of 1-(benzo[b]thiophen-2-yl)ethanone analogues as novel anti-osteoporosis agents acting on BMP-2 promotor	Bioorganic & medicinal chemistry letters
18995932	20090601	Synthesis and antimicrobial evaluation of 1-(benzofuran-2-yl)-4-nitro-3-arylbutan-1-ones and 3-(benzofuran-2-yl)-4,5-dihydro-5-aryl-1-[4-(aryl)-1,3-thiazol-2-yl]-1H-pyrazoles	European journal of medicinal chemistry

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GHS Hazard Statement:	H317 (99.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501
Signal Word:	Warning

Complexity:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.052429494
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	160.052429494
Rotatable Bond Count:	1
Topological Polar Surface Area:	30.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6