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Merck
CN

72590

Nitrite ionophore I

Selectophore, function tested

Synonym(s):

Cyanoaqua-cobyrinic acid heptakis(2-phenylethyl ester)

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About This Item

Empirical Formula (Hill Notation):
C102H117ClCoN5O19
CAS Number:
Molecular Weight:
1811.43
NACRES:
NB.61
PubChem Substance ID:
UNSPSC Code:
26111700
MDL number:
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InChI

1S/C101H116N4O14.CN.ClHO4.Co.H2O/c1-70-92-80(45-48-86(107)114-60-52-73-32-18-10-19-33-73)97(3,4)84(103-92)67-83-79(44-47-85(106)113-59-51-72-30-16-9-17-31-72)99(6,68-90(111)118-64-56-77-40-26-14-27-41-77)95(102-83)71(2)93-81(46-49-87(108)115-61-53-74-34-20-11-21-35-74)100(7,69-91(112)119-65-57-78-42-28-15-29-43-78)101(8,105-93)96-82(66-89(110)117-63-55-76-38-24-13-25-39-76)98(5,94(70)104-96)58-50-88(109)116-62-54-75-36-22-12-23-37-75;1-2;2-1(3,4)5;;/h9-43,67,79-82,96,102H,44-66,68-69H2,1-8H3;;(H,2,3,4,5);;1H2/q;;;+1;/p-1/b83-67-,92-70-,95-71-;;;;/t79-,80-,81-,82+,96?,98-,99+,100+,101+;;;;/m1..../s1

SMILES string

[H]O[H].[Co+]C#N.[O-]Cl(=O)(=O)=O.CC1=C2NC(=CC3=NC([C@@H](CCC(=O)OCCc4ccccc4)C3(C)C)=C(C)C5=NC([C@H](CC(=O)OCCc6ccccc6)[C@@]5(C)CCC(=O)OCCc7ccccc7)[C@]8(C)N=C1[C@@H](CCC(=O)OCCc9ccccc9)[C@]8(C)CC(=O)OCCc%10ccccc%10)[C@@H](CCC(=O)OCCc%11ccccc%11)[C@]2(C)CC(=O)OCCc%12ccccc%12

InChI key

QRDDGUVPZIMYBN-JXHUONGFSA-M

description

for ion-selective electrodes

product line

Selectophore

form

crystals

quality

function tested

storage temp.

−20°C

Quality Level

General description

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Application

Selected application examples

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Other Notes

Ionophore for nitrite-selective liquid membrane electrodes

Legal Information

Selectophore is a trademark of Merck KGaA, Darmstadt, Germany

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)


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R. Stepanek et al.
Analytica Chimica Acta, 182, 83-83 (1986)

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