Benzofuran-3(2H)-one - CAS 7169-34-8

Catalog:	BB034453
Product Name:	Benzofuran-3(2H)-one
CAS:	7169-34-8
Synonyms:	3-benzofuranone; 1-benzofuran-3-one

Technical Data

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Computed Properties

IUPAC Name:	1-benzofuran-3-one
Description:	Benzofuran-3(2H)-one (CAS# 7169-34-8) is a useful research chemical, an intermediate used in the catalytic asymmetric synthesis of chiral benzofuranones.
Molecular Weight:	134.13
Molecular Formula:	C8H6O2
Canonical SMILES:	C1C(=O)C2=CC=CC=C2O1
InChI:	InChI=1S/C8H6O2/c9-7-5-10-8-4-2-1-3-6(7)8/h1-4H,5H2
InChI Key:	MGKPCLNUSDGXGT-UHFFFAOYSA-N
Boiling Point:	249.643 °C at 760 mmHg
Density:	1.265 g/cm³
MDL:	MFCD00051810
LogP:	1.26170

Publication Number	Title	Priority Date
CN-113214199-A	Synthetic method of benzofuran-3-oxocarboxylate compound	20210428
CN-113214280-A	Organic compound, and electronic device and electronic apparatus comprising same	20210427
CN-112933098-A	Application of griseofulvin tetrazole derivative in preparation of antitumor drugs	20210207
CN-112972478-A	Application of griseofulvin Schmidt rearrangement derivative in preparation of antitumor drugs	20210207
CN-112979665-A	Griseofulvin Schmidt rearrangement derivative and preparation method thereof	20210207

PMID	Publication Date	Title	Journal
22929231	20121001	Ethylenediamine diacetate (EDDA) mediated synthesis of aurones under ultrasound: their evaluation as inhibitors of SIRT1	Bioorganic & medicinal chemistry letters
20303263	20100415	Novel benzofuran-3-one indole inhibitors of PI3 kinase-alpha and the mammalian target of rapamycin: hit to lead studies	Bioorganic & medicinal chemistry letters
19783518	20091001	Study of the anti-inflammatory and analgesic effects of novel rigid benzofuran-3, 4-dihydroxy chalcone by formalin, hot-plate and carrageenan tests in mice	Pakistan journal of pharmaceutical sciences
19111057	20090101	Regioselective synthesis of tetrasubstituted pyrroles by 1,3-dipolar cycloaddition and spontaneous decarboxylation	Organic letters
17298066	20070307	Does aromaticity in a reaction product increase or decrease the intrinsic barrier? Kinetics of the reversible deprotonation of benzofuran-3(2H)-one and benzothiophene-3(2H)-one	Journal of the American Chemical Society

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	134.036779430
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	134.036779430
Rotatable Bond Count:	0
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5