6,13-Pentacenequinone - CAS 3029-32-1

Name: 6,13-Pentacenequinone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB020535
Product Name:	6,13-Pentacenequinone
CAS:	3029-32-1
Synonyms:	pentacene-6,13-dione

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	pentacene-6,13-dione
Description:	6,13-Pentacenequinone (CAS# 3029-32-1) is a useful research chemical.
Molecular Weight:	308.33
Molecular Formula:	C22H12O2
Canonical SMILES:	C1=CC=C2C=C3C(=CC2=C1)C(=O)C4=CC5=CC=CC=C5C=C4C3=O
InChI:	InChI=1S/C22H12O2/c23-21-17-9-13-5-1-2-6-14(13)10-18(17)22(24)20-12-16-8-4-3-7-15(16)11-19(20)21/h1-12H
InChI Key:	UFCVADNIXDUEFZ-UHFFFAOYSA-N
Boiling Point:	557.5 °C at 760 mmHg
Melting Point:	394 °C
Purity:	> 95.0 % (LC)
Density:	1.356 g/cm³
Appearance:	Yellow to orange solid
MDL:	MFCD00003709
LogP:	4.76840

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

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

Publication Number	Title	Priority Date
CN-111905746-A	Refined catalyst of cyclic formaldehyde derivative and application thereof	20200812
WO-2021209859-A1	Monomers, polymers, and articles for biomaterial capture	20200414
JP-2021116356-A	Photocationic curable composition	20200127
WO-2021105843-A1	Biotin-containing monomers and articles formed therefrom	20191125
WO-2020216899-A1	Method for manufacturing cured film and use of the same	20190426

PMID	Publication Date	Title	Journal
22522393	20120420	An improved synthesis of pentacene: rapid access to a benchmark organic semiconductor	Molecules (Basel, Switzerland)
21381120	20110311	An almost transparent image pixel with a pentacene/ZnO photodiode, a pentacene thin-film transistor, and a 6,13-pentacenequinone phosphor layer	Advanced materials (Deerfield Beach, Fla.)
15740146	20050309	Pentacene disproportionation during sublimation for field-effect transistors	Journal of the American Chemical Society
12785056	20030201	Photoreduction of 9,10-anthraquinone derivatives: transient spectroscopy and effects of alcohols and amines on reactivity in solution	Photochemistry and photobiology
11993468	20020401	Electronic structure of the lowest excited triplet state of 5,12-naphthacenequinone	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Complexity:	446
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	308.083729621
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	308.083729621
Rotatable Bond Count:	0
Topological Polar Surface Area:	34.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.4