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N, N`-Bis(2, 6-dimethylphenyl)perylene-3, 4, 9, 10-tetracarboxylic diimide - Dye content 85%, high purity , CAS No.76372-76-4

COA

Grade & Purity:

Dye content 85%

Cas Number: 76372-76-4
Molecular Weight: 598.65
Beilstein Registry Number: 4626671
PubChem CID: 4189394
PubChem SID: 504762898

In stock

Item Number

N293445

Grouped product items
SKU	Size	Availability	Price	Qty
N293445-25mg	25mg	2	$205.90
N293445-100mg	100mg	2	$686.90

Basic Description

Synonyms	76372-76-4 \| 2,9-Bis(2,6-dimethylphenyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone \| 7,18-bis(2,6-dimethylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,1
Specifications & Purity	Dye content 85%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenanthrenes and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenanthrenes and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenanthrenes and derivatives
Alternative Parents	Anthracenes Isoquinolones and derivatives m-Xylenes Pyridinones Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Anthracene - Phenanthrene - Isoquinolone - Isoquinoline - M-xylene - Xylene - Pyridinone - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Lactam - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
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	504762898
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504762898
IUPAC Name	7,18-bis(2,6-dimethylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
INCHI	InChI=1S/C40H26N2O4/c1-19-7-5-8-20(2)35(19)41-37(43)27-15-11-23-25-13-17-29-34-30(40(46)42(39(29)45)36-21(3)9-6-10-22(36)4)18-14-26(32(25)34)24-12-16-28(38(41)44)33(27)31(23)24/h5-18H,1-4H3
InChIKey	NJOMGKAERDOZHP-UHFFFAOYSA-N
Smiles	CC1=C(C(=CC=C1)C)N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C(=O)N(C8=O)C9=C(C=CC=C9C)C)C2=O
Isomeric SMILES	CC1=C(C(=CC=C1)C)N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C(=O)N(C8=O)C9=C(C=CC=C9C)C)C2=O
WGK Germany	3
Molecular Weight	598.65
Beilstein	4626671
Reaxy-Rn	4626671
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4626671&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number	Certificate Type	Date	Item
A2220472	Certificate of Analysis	Nov 25, 2021	N293445
A2220473	Certificate of Analysis	Nov 25, 2021	N293445

Chemical and Physical Properties

Refractive Index	n20D1.82 (Predicted)
Melt Point(°C)	>300° C (lit.)
Molecular Weight	598.600 g/mol
XLogP3	8.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	598.189 Da
Monoisotopic Mass	598.189 Da
Topological Polar Surface Area	74.800 Å²
Heavy Atom Count	46
Formal Charge	0
Complexity	1130.000
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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