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121908

Sigma-Aldrich

Neocuproine hydrate

99%

Synonym(s):

2,9-Dimethyl-1,10-phenanthroline hydrate

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About This Item

Empirical Formula (Hill Notation):
C14H12N2 · xH2O
CAS Number:
654054-57-6
Molecular Weight:
208.26 (anhydrous basis)
EC Number:
207-601-9
MDL number:
MFCD00149306
UNSPSC Code:
12352100
PubChem Substance ID:
24847471
NACRES:
NA.22

Assay

99%

solubility

methanol: soluble 50 mg/mL, clear, colorless to dark yellow

SMILES string

[H]O[H].Cc1ccc2ccc3ccc(C)nc3c2n1

InChI

1S/C14H12N2.H2O/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;/h3-8H,1-2H3;1H2

InChI key

MFZBSWSCIWCRKS-UHFFFAOYSA-N

General description

Neocuproine hydrate is chelating agent and forms complex with Cu+ formed by reduction of Cu+2 by hydroxylamine hydrochloride and produces electrochemiluminescence. It is an efficient ligand for alcohol oxidation with palladium in 1:1 water/DMSO mixtures.

Application

Neocuproine hydrate was used in determination of copper ions in aqueous solution using electrochemiluminescence.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Determining copper ions in water using electrochemiluminescence.
High B, et al.
Analytica Chimica Acta, 449(1), 17-22 (2001)
Catalytic Conversions in Water. Part 23: Steric Effects and Increased Substrate Scope in the Palladium-Neocuproine Catalyzed Aerobic Oxidation of Alcohols in Aqueous Solvents#.
Brink GJ, et al.
Advanced Synthesis & Catalysis, 345(12), 1341-1352 (2003)

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