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6,13-Pentacenequinone - 99%, high purity , CAS No.3029-32-1

COA

Grade & Purity:

≥99%

Cas Number: 3029-32-1
Molecular Weight: 308.33
Beilstein Registry Number: 7(4)2689
MDL number: MFCD00003709
PubChem CID: 76415
PubChem SID: 504755058

In stock

Item Number

P111371

Grouped product items
SKU	Size	Availability	Price
P111371-1g	1g	5	$52.90
P111371-5g	5g	7	$201.90
P111371-25g	25g	3	$503.90

View related series

Carbonyl compound (2335) ketone (798)

Basic Description

Synonyms	SY004565 \| AKOS003615541 \| P1685 \| InChI=1/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 \| DTXSID60184375 \| 4-Pentylphenyltrans,trans-4-propyl-1,1-bicyclohexyl-4-carboxylate \| 6,13-Pentacenequinone \| FT-062
Specifications & Purity	≥99%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Pentacenequinones

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Pentacenequinones
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Pentacenequinones
Alternative Parents	Naphthacenes Anthraquinones Aryl ketones Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Pentacenequinone - Tetracene - 1,4-anthraquinone - 9,10-anthraquinone - Aryl ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as pentacenequinones. These are compounds containing a pentacenequinone moiety, which consists of five linearly fused benzene ring, with at least one bearing two ketones.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504755058
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504755058
IUPAC Name	pentacene-6,13-dione
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
InChIKey	UFCVADNIXDUEFZ-UHFFFAOYSA-N
Smiles	C1=CC=C2C=C3C(=CC2=C1)C(=O)C4=CC5=CC=CC=C5C=C4C3=O
Isomeric SMILES	C1=CC=C2C=C3C(=CC2=C1)C(=O)C4=CC5=CC=CC=C5C=C4C3=O
WGK Germany	3
Molecular Weight	308.33
Beilstein	7(4)2689
Reaxy-Rn	1915001
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1915001&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
L2431035	Certificate of Analysis	Jan 03, 2025	P111371
I1514072	Certificate of Analysis	May 08, 2023	P111371
J22111373	Certificate of Analysis	Jul 27, 2022	P111371
J22111372	Certificate of Analysis	Jul 27, 2022	P111371
J22111374	Certificate of Analysis	Jul 27, 2022	P111371
L2431033	Certificate of Analysis	Dec 11, 2021	P111371

Chemical and Physical Properties

Melt Point(°C)	394°C
Molecular Weight	308.300 g/mol
XLogP3	5.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	308.084 Da
Monoisotopic Mass	308.084 Da
Topological Polar Surface Area	34.100 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	446.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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