Benzoxazolium, 3-ethyl-2-[5-(3-ethyl-2(3H)-benzoxazolylidene)-1,3-pentadien-1-yl]-, iodide (1:1)

Base Information

• Chemical Name: Benzoxazolium, 3-ethyl-2-[5-(3-ethyl-2(3H)-benzoxazolylidene)-1,3-pentadien-1-yl]-, iodide (1:1)
• CAS No.: 14806-50-9
• Deprecated CAS: 50706-35-9
• Molecular Formula: C₂₃H₂₃N₂O₂*I
• Molecular Weight: 486.352
• European Community (EC) Number: 238-873-7
• Mol file: 14806-50-9.mol

Synonyms:3,3'-diethyloxadicarbocyanine;3,3'-diethyloxadicarbocyanine iodide;3,3'-diethyloxadicarbocyanine, perchlorate;3,3'-diethyloxodicarbocyanine

Chemical Property of Benzoxazolium, 3-ethyl-2-[5-(3-ethyl-2(3H)-benzoxazolylidene)-1,3-pentadien-1-yl]-, iodide (1:1)

Chemical Property:

• Melting Point: 232 °C (dec.)(lit.)
• PSA: 35.09000
• LogP: 1.64300
• Storage Temp.: 2-8°C
• Sensitive.: Light Sensitive
• Solubility.: DMF: soluble
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 486.08043
• Heavy Atom Count: 28
• Complexity: 537

Purity/Quality:

99%, ^*data from raw suppliers

3,3'-Diethyloxadicarbocyanine Iodide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCN1C2=CC=CC=C2OC1=CC=CC=CC3=[N+](C4=CC=CC=C4O3)CC.[I-]
• Isomeric SMILES: CCN\1C2=CC=CC=C2O/C1=C/C=C/C=C/C3=[N+](C4=CC=CC=C4O3)CC.[I-]
• Uses: 3,3''-Diethyloxadicarbocyanine iodide is a sensitive probe.

Technology Process of Benzoxazolium, 3-ethyl-2-[5-(3-ethyl-2(3H)-benzoxazolylidene)-1,3-pentadien-1-yl]-, iodide (1:1)

There total 2 articles about Benzoxazolium, 3-ethyl-2-[5-(3-ethyl-2(3H)-benzoxazolylidene)-1,3-pentadien-1-yl]-, iodide (1:1) which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3,3'-diethyloxadicarbocyanine iodide → 3,3'-diethyloxadicarbocyanine iodide (14806-50-9,64116-34-3,64173-98-4,225668-79-1,178737-53-6)

Guidance literature:

In various solvent(s); at 25 ℃; under 750.06 Torr; Further Variations:; Pressures; Solvents; Temperatures; Kinetics;

DOI:10.1246/bcsj.74.103

Reference yield:

3,3'-diethyloxadicarbocyanine iodide → 3,3'-diethyloxadicarbocyanine iodide (14806-50-9,64116-34-3,64173-98-4,225668-79-1,178737-53-6)

Guidance literature:

In ethanol; at 5 ℃; under 750.06 Torr; Kinetics; other solvent; solvent effect, pressure, viscosity dependence; thermal isomerization;

DOI:10.1246/cl.1999.301

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