6-Bromo-2-phenyl-(4H)-4-benzopyranone - CAS 1218-80-0

Catalog:	BB005286
Product Name:	6-Bromo-2-phenyl-(4H)-4-benzopyranone
CAS:	1218-80-0
Synonyms:	6-bromo-2-phenylchromen-4-one

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Computed Properties

IUPAC Name:	6-bromo-2-phenylchromen-4-one
Description:	6-Bromo-2-phenyl-(4H)-4-benzopyranone (CAS# 1218-80-0) is a useful research chemical.
Molecular Weight:	301.13
Molecular Formula:	C15H9BrO2
Canonical SMILES:	C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)Br
InChI:	InChI=1S/C15H9BrO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H
InChI Key:	LPOZDKMXSPAATL-UHFFFAOYSA-N
Boiling Point:	421.1 °C at 760 mmHg
Melting Point:	193-196 °C (lit.)
Purity:	95 %
Density:	1.54 g/cm³
Appearance:	Solid
MDL:	MFCD00276169
LogP:	4.22250

Publication Number	Title	Priority Date
CN-108148035-A	A kind of preparation method of 2- aryl flavones	20180119
US-2014135433-A1	Tire with rubber containing flavone	20121113
US-2009312407-A1	Synthetic Flavonoids and Pharmaceutical Compositions and Therapeutic Methods of Treatment of Cancer and other Pathologies	20071216
US-2012264820-A1	Synthetic Flavonoids and Pharmaceutical Compositions and Therapeutic Methods of Treatment of HIV infection and other pathologies	20061229
US-8314143-B2	Synthetic flavonoids and pharmaceutical compositions and therapeutic methods of treatment of HIV infection and other pathologies	20061229

PMID	Publication Date	Title	Journal
21914441	20111116	Effects of flavone 6-substitutions on GABAA receptors efficacy	European journal of pharmacology
18158201	20080801	QSAR modeling of the interaction of flavonoids with GABA(A) receptor	European journal of medicinal chemistry
18068365	20080115	Microwave-assisted synthesis and antimicrobial activities of flavonoid derivatives	Bioorganic & medicinal chemistry letters
16412650	20060501	Antitumor activity of some natural flavonoids and synthetic derivatives on various human and murine cancer cell lines	Bioorganic & medicinal chemistry
12057669	20020801	Chalcones and flavonoids as anti-tuberculosis agents	Bioorganic & medicinal chemistry

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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:	358
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	299.97859
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	299.97859
Rotatable Bond Count:	1
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.7