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Structure

3,3'-Dihexyloxacarbocyanine iodide

CAS
53213-82-4
Catalog Number
ACM53213824
Category
Other Products
Molecular Weight
572.52
Molecular Formula
C29H37N2O2.I

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Specification

Synonyms
DiOC6(3) [3,3-Dihexyloxacarbocyanine iodide]; 3-hexyl-2-[3-(3-hexyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole,iodide; 3-hexyl-2-[3-(3-hexyl-2(3H)benzoxazolylidene)-1-propenyl]benzoxazolium iodide;
IUPAC Name
3-hexyl-2-[3-(3-hexyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole iodide
Canonical SMILES
CCCCCCN1C2=CC=CC=C2OC1=CC=CC3=[N+](C4=CC=CC=C4O3)CCCCCC.[I-]
InChI Key
XVLXYDXJEKLXHN-UHFFFAOYSA-M
Melting Point
219-221ºC(lit.)
Appearance
red crystalline powder
Exact Mass
572.19000
Hazard Statements
Xi
H-Bond Acceptor
4
H-Bond Donor
0
Safety Description
26-36
WGK Germany
3
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