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5，5'-(1，3，6，8-tetraoxo-1，3，6，8-tetrahydrobenzo[lmn][3，8]phenanthroline-2，7-diyl)dibenzene-1，3-dicarboxylic acid - ≥98%, high purity , CAS No.350024-36-1

COA

Grade & Purity:

≥98%

Cas Number: 350024-36-1
Molecular Weight: 594.4
PubChem CID: 2832556

In stock

Item Number

D768444

Grouped product items
SKU	Size	Availability	Price
D768444-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$17.90
D768444-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$35.90
D768444-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$132.90
D768444-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$659.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Tetracarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Tetracarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Tetracarboxylic acids and derivatives
Alternative Parents	Bipyridines and oligopyridines M-phthalic acid and derivatives Isoquinolones and derivatives Naphthalenes Benzoic acids Benzoyl derivatives Pyridinones Heteroaromatic compounds Lactams Azacyclic compounds Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Tetracarboxylic acid or derivatives - Bipyridine - Meta_phthalic_acid - Isoquinolone - Isoquinoline - Naphthalene - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Pyridinone - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Lactam - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.
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	5-[13-(3,5-dicarboxyphenyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]benzene-1,3-dicarboxylic acid
INCHI	InChI=1S/C30H14N2O12/c33-23-17-1-2-18-22-20(26(36)32(24(18)34)16-9-13(29(41)42)6-14(10-16)30(43)44)4-3-19(21(17)22)25(35)31(23)15-7-11(27(37)38)5-12(8-15)28(39)40/h1-10H,(H,37,38)(H,39,40)(H,41,42)(H,43,44)
InChIKey	RYFYCPDCRKHALS-UHFFFAOYSA-N
Smiles	C1=CC2=C3C(=CC=C4C3=C1C(=O)N(C4=O)C5=CC(=CC(=C5)C(=O)O)C(=O)O)C(=O)N(C2=O)C6=CC(=CC(=C6)C(=O)O)C(=O)O
Isomeric SMILES	C1=CC2=C3C(=CC=C4C3=C1C(=O)N(C4=O)C5=CC(=CC(=C5)C(=O)O)C(=O)O)C(=O)N(C2=O)C6=CC(=CC(=C6)C(=O)O)C(=O)O
PubChem CID	2832556
Molecular Weight	594.4

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	594.400 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	6
Exact Mass	594.055 Da
Monoisotopic Mass	594.055 Da
Topological Polar Surface Area	224.000 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	1150.000
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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