Basic Description

Synonyms	SPADNS ACS grade \| 8C9EXU0M2M \| 5-(3-Chlorophenyl)-N-(4-(morpholinomethyl)-phenyl)furan-2-carboxamide \| 2-(4-Sulfophenylazo)chromotropic acid trisodium salt \| trisodium;4,5-dihydroxy-3-[(4-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate \| EINECS 245-
Specifications & Purity	AR
Shipped In	Normal
Grade	AR
Product Description	Used as an indicator for complexometric determinations of zirconium and thorium

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Naphthalenes
    - Subclass Naphthalene sulfonic acids and derivatives
      - Level5 Naphthalene sulfonates
        Level6 2-naphthalene sulfonates

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Naphthalenes
Subclass	Naphthalene sulfonic acids and derivatives
Intermediate Tree Nodes	Naphthalene sulfonates
Direct Parent	2-naphthalene sulfonates
Alternative Parents	2-naphthalene sulfonic acids and derivatives Benzenesulfonic acids and derivatives Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Phenoxides Sulfonyls Organosulfonic acids Azo compounds Propargyl-type 1,3-dipolar organic compounds Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	2-naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Phenoxide - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic cation - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
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	488186601
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488186601
IUPAC Name	trisodium;4,5-dihydroxy-3-[(4-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate
INCHI	InChI=1S/C16H12N2O11S3.3Na/c19-12-7-11(31(24,25)26)5-8-6-13(32(27,28)29)15(16(20)14(8)12)18-17-9-1-3-10(4-2-9)30(21,22)23;;;/h1-7,19-20H,(H,21,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3
InChIKey	AEHGQXKBQBMQEK-UHFFFAOYSA-K
Smiles	C1=CC(=CC=C1N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])O)O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
Isomeric SMILES	C1=CC(=CC=C1N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])O)O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
WGK Germany	3
PubChem CID	90221
Molecular Weight	570.41

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

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

Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
A1519022	Certificate of Analysis	Sep 20, 2022	S121928
D23261085	Certificate of Analysis	Dec 20, 2021	S121928

Chemical and Physical Properties

Solubility	Soluble in water (10 mg/ml), and ethanol (1 mg/ml). very slightly soluble or insoluble in alcohol and organic solvents
Melt Point(°C)	>300°C
Molecular Weight	570.400 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	2
Exact Mass	569.906 Da
Monoisotopic Mass	569.906 Da
Topological Polar Surface Area	262.000 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	979.000
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	4

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Yan Xiong, Jiayi Wu, Qing Wang, Jing Xu, Shenwen Fang, Jie Chen, Ming Duan. (2017) Optical sensor for fluoride determination in tea sample based on evanescent-wave interaction and fiber-optic integration. TALANTA, 174 (372).

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SKU	Size	Availability	Price	Qty
S121928-5g	5g	9	$17.90
S121928-25g	25g	3	$49.90

Sulfanilic acid azochromotrop - reagent grade, high purity , CAS No.23647-14-5