3,3′-Diethyloxacarbocyanine iodide
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3,3′-Diethyloxacarbocyanine iodide
structure -
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CAS No:
905-96-4
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Formula:
C21H21N2O2.I
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Chemical Name:
3,3′-Diethyloxacarbocyanine iodide
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Synonyms:
Benzoxazolium,3-ethyl-2-[3-(3-ethyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-,iodide (1:1);Benzoxazolium,3-ethyl-2-[3-(3-ethyl-2-benzoxazolinylidene)propenyl]-,iodide;Benzoxazolium,3-ethyl-2-[3-(3-ethyl-2(3H)-benzoxazolylidene)-1-propenyl]-,iodide;3-Ethyl-2-[3-(3-ethyl-2-benzoxazolinylidene)propenyl]benzoxazolium iodide;3,3′-Diethyloxacarbocyanine iodide;3,3′-Diethyl-2,2′-oxacarbocyanine iodide;G 1745;3-Ethyl-2-[3-ethyl-2(3H)-benzoxazolylidene)-1-propenyl]benzoxazolium iodide);NK 85;DOC (dye);DOC;DOCI;DiOC 2(3);DiOC 2;66796-36-9;188652-76-8
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CAS No:
Safety Information
NONH for all modes of transport
3
R36/37/38
26-36
Xi: Irritant;
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3,3′-Diethyloxacarbocyanine iodide Use and Manufacturing
Benzoxazolium, 3-ethyl-2-[3-(3-ethyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-, iodide (1:1): ACTIVE
Computed Properties
Molecular Weight:460.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:460.06478
Monoisotopic Mass:460.06478
Topological Polar Surface Area:29.5
Heavy Atom Count:26
Complexity:474
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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3,3′-Diethyloxacarbocyanine iodide
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