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Bathophenanthrolinedisulfonic Acid Disodium Salt Hydrate - 98%, high purity , CAS No.53744-42-6

COA

Grade & Purity:

≥98%

Cas Number: 53744-42-6
Molecular Weight: 536.48（anhydrous）
MDL number: MFCD00038854
PubChem CID: 104311
PubChem SID: 504756568

In stock

Item Number

B405678

Grouped product items
SKU	Size	Availability	Price	Qty
B405678-250mg	250mg	3	$119.90
B405678-1g	1g	2	$215.90

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Material synthetic block (276) Nitrogen donating ligand (229)

Basic Description

Synonyms	4,7-Diphenyl-1,10-phenanthrolinium di(sodiosulphonate) \| Disodium 4,4'-(1,10-phenanthroline-4,7-diyl)bis(benzenesulphonate) \| J-610029 \| Benzenesulfonic acid, 4,4'-(1,10-phenanthroline-4,7-diyl)bis-, disodium salt \| disodium 4,7-diphenyl-1,10-phenanthroli
Specifications & Purity	≥98%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Quinolines and derivatives
    - Subclass Phenylquinolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Quinolines and derivatives
Subclass	Phenylquinolines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylquinolines
Alternative Parents	Phenanthrolines Phenylpyridines Benzenesulfonic acids and derivatives Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Sulfonyls Organosulfonic acids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phenylquinoline - 1,10-phenanthroline - 4-phenylpyridine - Benzenesulfonate - Benzenesulfonyl group - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Azacycle - Organic alkali metal salt - Organic oxide - Organic salt - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organic sodium salt - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.
External Descriptors	organic sodium salt
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	504756568
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504756568
IUPAC Name	disodium;4-[7-(4-sulfonatophenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate
INCHI	InChI=1S/C24H16N2O6S2.2Na/c27-33(28,29)17-5-1-15(2-6-17)19-11-13-25-23-21(19)9-10-22-20(12-14-26-24(22)23)16-3-7-18(8-4-16)34(30,31)32;;/h1-14H,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2
InChIKey	PCNDSIWXTYFWIA-UHFFFAOYSA-L
Smiles	C1=CC(=CC=C1C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Isomeric SMILES	C1=CC(=CC=C1C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Alternate CAS	949162-66-7
Molecular Weight	536.48（anhydrous）
Reaxy-Rn	9831013
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9831013&ln=

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

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

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
A2408342	Certificate of Analysis	Nov 25, 2023	B405678
A2408339	Certificate of Analysis	Nov 25, 2023	B405678
A2408340	Certificate of Analysis	Nov 25, 2023	B405678
A2408341	Certificate of Analysis	Nov 25, 2023	B405678

Chemical and Physical Properties

Molecular Weight	536.500 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	536.009 Da
Monoisotopic Mass	536.009 Da
Topological Polar Surface Area	157.000 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	811.000
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	3

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