Anthraflavic acid - CAS 84-60-6

Catalog:	BB037267
Product Name:	Anthraflavic acid
CAS:	84-60-6
Synonyms:	2,6-dihydroxyanthracene-9,10-dione; Anthraflavin

Technical Data

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Computed Properties

IUPAC Name:	2,6-dihydroxyanthracene-9,10-dione
Description:	Anthraflavic acid is a potent and specific inhibitor of cytochrome P-448 activity.
Molecular Weight:	240.21
Molecular Formula:	C14H8O4
Canonical SMILES:	C1=CC2=C(C=C1O)C(=O)C3=C(C2=O)C=C(C=C3)O
InChI:	InChI=1S/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H
InChI Key:	APAJFZPFBHMFQR-UHFFFAOYSA-N
Boiling Point:	442.1±35.0 °C at 760 mmHg
Melting Point:	>320 °C
Purity:	> 97.0 % (GC)
Density:	1.5±0.1 g/cm3
Appearance:	Solid
MDL:	MFCD00001228
LogP:	1.87320

Publication Number	Title	Priority Date
US-2021036355-A1	Organic redox molecules for flow batteries	20190729
WO-2020235357-A1	Sealing agent for liquid crystal dropping methods, liquid crystal display panel using same, and method for producing same	20190517
WO-2020230678-A1	Liquid crystal sealant, liquid crystal display panel using same, and production method therefor	20190510
WO-2020218139-A1	Thermoplastic liquid crystal polymer film, laminate, and molded article, and methods for their production	20190423
WO-2020218141-A1	Thermoplastic liquid crystal polymer film, multilayer body, molded body and production methods thereof	20190423

PMID	Publication Date	Title	Journal
22922272	20120824	Determination of the optical GAP in thin films of amorphous dilithium phthalocyanine using the Tauc and Cody models	Molecules (Basel, Switzerland)
21573289	20110621	Phenol transformation photosensitised by quinoid compounds	Physical chemistry chemical physics : PCCP
21030469	20110201	Correlation between bilirubin glucuronidation and estradiol-3-gluronidation in the presence of model UDP-glucuronosyltransferase 1A1 substrates/inhibitors	Drug metabolism and disposition: the biological fate of chemicals
19962935	20100101	Electrical and optical properties of copper and nickel molecular materials with tetrabenzo [b,f,j,n] [1,5,9,13] tetraazacyclohexadecine thin films grown by the vacuum thermal evaporation technique	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
19269596	20090301	Structure-activity relationships of anthraquinones on the suppression of DNA-binding activity of the aryl hydrocarbon receptor induced by 2,3,7,8-tetrachlorodibenzo-p-dioxin	Journal of bioscience and bioengineering

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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:	342
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	240.04225873
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	240.04225873
Rotatable Bond Count:	0
Topological Polar Surface Area:	74.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2