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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
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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[1]. It is an efficient ligand for alcohol oxidation with palladium in 1:1 water/DMSO mixtures[2].

Application

Neocuproine hydrate was used in determination of copper ions in aqueous solution using electrochemiluminescence[1].

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

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Certificates of Analysis (COA)

Lot/Batch Number
SDBB2261
STBL3593
STBL0095
STBJ1509
STBJ0462

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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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