Anthraflavic acid|Aryls|Ketones|Benzene Compounds|for research only|Ambeed

Alternatived Products of [ 84-60-6 ]

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A Study of Anthraquinone Structural Changes for Aqueous Redox Flow Ballery Materials

Kerr, Emily ; Harvard University,2022.

Abstract: The transition away from fossil-fuel-based electricity production is critical for cutting the emissions of climate change causing carbon dioxide emissions. Renewable energy sources, including solar and wind energy, are now cost-competitive with fossil fuels. This has generated serious interest in energy storage technologies to help manage the intermittency of these energy sources. Redox flow batteries provide a promising technology for providing grid-scale energy storage. Chapter 1 describes the current state of renewable energy and energy storage in electricity generation. The design and current state of redox flow batteries are discussed. Chapter 2 details the synthesis and characterization of a new anthraquinone, 2,6- D2PEAQ. A novel method of installing branched side chains to improve the aqueous solubility of anthraquinones is presented. Cell studies demonstrating a daily capacity fade of

Purchased from AmBeed: 605-32-3 ; 84-60-6

Product Details of [ 84-60-6 ]

CAS No. :	84-60-6	MDL No. :	MFCD00001228
Formula :	C₁₄H₈O₄	Boiling Point :	-
Linear Structure Formula :	C₁₄H₆(OH)₂O₂	InChI Key :	APAJFZPFBHMFQR-UHFFFAOYSA-N
M.W :	240.21	Pubchem ID :	6776
Synonyms :	2,6-Dihydroxyanthraquinone;Anthraflavin	Chemical Name :	2,6-Dihydroxyanthracene-9,10-dione

Calculated chemistry of [ 84-60-6 ] Expand+

Safety of [ 84-60-6 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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Technical Information

• Baeyer-Villiger Oxidation • Barbier Coupling Reaction • Baylis-Hillman Reaction • Benzylic Oxidation • Birch Reduction • Blanc Chloromethylation • Bucherer-Bergs Reaction • Clemmensen Reduction • Corey-Bakshi-Shibata (CBS) Reduction • Corey-Chaykovsky Reaction • Fischer Indole Synthesis • Friedel-Crafts Reaction • Grignard Reaction • Henry Nitroaldol Reaction • Horner-Wadsworth-Emmons Reaction • Hydride Reductions • Hydrogenolysis of Benzyl Ether • Lawesson's Reagent • Leuckart-Wallach Reaction • McMurry Coupling • Meerwein-Ponndorf-Verley Reduction • Passerini Reaction • Paternò-Büchi Reaction • Petasis Reaction • Peterson Olefination • Pictet-Spengler Tetrahydroisoquinoline Synthesis • Preparation of Aldehydes and Ketones • Preparation of Alkylbenzene • Preparation of Amines • Prins Reaction • Reactions of Aldehydes and Ketones • Reactions of Amines • Reactions of Benzene and Substituted Benzenes • Reformatsky Reaction • Robinson Annulation • Schlosser Modification of the Wittig Reaction • Schmidt Reaction • Specialized Acylation Reagents-Ketenes • Stobbe Condensation • Tebbe Olefination • Ugi Reaction • Vilsmeier-Haack Reaction • Wittig Reaction • Wolff-Kishner Reduction

Historical Records

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P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
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P401
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Num. heavy atoms :	18
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	4.0
Num. H-bond donors :	2.0
Molar Refractivity :	63.8
TPSA :	74.6 Å²

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-5.44 cm/s

Log Po/w (iLOGP) :	1.25
Log Po/w (XLOGP3) :	3.28
Log Po/w (WLOGP) :	1.87
Log Po/w (MLOGP) :	0.67
Log Po/w (SILICOS-IT) :	2.55
Consensus Log Po/w :	1.92

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Log S (ESOL) :	-3.89
Solubility :	0.031 mg/ml ; 0.000129 mol/l
Class :	Soluble
Log S (Ali) :	-4.52
Solubility :	0.00723 mg/ml ; 0.0000301 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-4.1
Solubility :	0.0191 mg/ml ; 0.0000794 mol/l
Class :	Moderately soluble

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Product Details of [ 84-60-6 ]

Calculated chemistry of [ 84-60-6 ] Expand+

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Safety of [ 84-60-6 ]