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Isoviolanthrone , CAS No.128-64-3

COA

Cas Number: 128-64-3
Molecular Weight: 456.5
PubChem CID: 67189

In stock

Item Number

I340873

Grouped product items
SKU	Size	Availability	Price	Qty
I340873-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$38.90
I340873-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$182.90

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Perylene (17) Six membered carbocyclic compound (243)

Basic Description

Synonyms	Dinaphtho(1,2,3-cd:1',2',3'-lm)perylene-9,18-dione \| Isodibenzanthrone \| Romantrene Brilliant Violet 4R \| Romantrene Brilliant Violet F2R \| vat violet 1 (c.i. 60010) \| Isothrene \| BSIHWSXXPBAGTC-UHFFFAOYSA-N \| A907917 \| Romantrene Brilliant Violet F4R \| n
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Pyrenes
    - Subclass Benzopyrenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Pyrenes
Subclass	Benzopyrenes
Intermediate Tree Nodes	Not available
Direct Parent	Benzopyrenes
Alternative Parents	Chrysenes Anthracenes Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Benzo-a-pyrene - Chrysene - Phenanthrene - Anthracene - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzopyrenes. These are organic compounds containing a benzene fused to a pyrene(benzo[def]phenanthrene) ring system.
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

IUPAC Name	nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1(30),2,4,6,8,10,13,15,17(31),18,20(32),21,23,25,28,33-hexadecaene-12,27-dione
INCHI	InChI=1S/C34H16O2/c35-33-25-7-3-1-5-17(25)19-9-11-21-24-14-16-28-32-20(18-6-2-4-8-26(18)34(28)36)10-12-22(30(24)32)23-13-15-27(33)31(19)29(21)23/h1-16H
InChIKey	BSIHWSXXPBAGTC-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C6=CC=C7C8=C(C=CC5=C68)C9=CC=CC=C9C7=O)C2=O
Isomeric SMILES	C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C6=CC=C7C8=C(C=CC5=C68)C9=CC=CC=C9C7=O)C2=O
Molecular Weight	456.5
Reaxy-Rn	2066925
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2066925&ln=

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

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2 results found

Lot Number	Certificate Type	Date	Item
K2406499	Certificate of Analysis	May 20, 2024	I340873
K2413317	Certificate of Analysis	May 20, 2024	I340873

Chemical and Physical Properties

Molecular Weight	456.500 g/mol
XLogP3	8.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	456.115 Da
Monoisotopic Mass	456.115 Da
Topological Polar Surface Area	34.100 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	877.000
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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