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Merck
CN

04619

2-{2-[7-(Diethylamino)-2-oxo-2H-1-benzopyran-3-yl]ethenyl}-1,3,3-trimethyl-3H-indolium iodide

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About This Item

Empirical Formula (Hill Notation):
C26H29IN2O2
CAS Number:
Molecular Weight:
528.43
UNSPSC Code:
41116105
NACRES:
NA.21
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
22103985
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assay

≥98.0% (HPLC)

Quality Level

technique(s)

UV/Vis spectroscopy: suitable

solubility

methanol: 1 mg/mL, clear (violet to deep violet)

fluorescence

λex 406 nm; λem 542.0 nm±10 nm (in the presence of cyanide)

suitability

suitable for fluorescence

SMILES string

C[N+]1=C(/C=C/C2=CC3=C(C=C(N(CC)CC)C=C3)OC2=O)C(C)(C)C4=CC=CC=C41.[I-]

InChI

1S/C26H29N2O2.HI/c1-6-28(7-2)20-14-12-18-16-19(25(29)30-23(18)17-20)13-15-24-26(3,4)21-10-8-9-11-22(21)27(24)5;/h8-17H,6-7H2,1-5H3;1H/q+1;/p-1

InChI key

OZKWMKLMZONDEZ-UHFFFAOYSA-M

Application

fluorescence dye for ratiometric determination of cyanide


pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

13 - Non Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Xin Lv et al.
Chemical communications (Cambridge, England), 47(48), 12843-12845 (2011-11-03)
A new ratiometric fluorescent cyanide probe was developed based on the nucleophilic attack of CN(-) toward the indolium group of a hybrid coumarin-hemicyanine dye, by which high selectivity as well as large emission shift could be achieved.



Global Trade Item Number

SKUGTIN
227528-100G04061832279541
227528-250G04061832279558
227528-25G04061838780812
04619-250MG04061832920733