3,3'-Diethyloxadicarbocyanine Iodide - ≥96% , CAS No.14806-50-9

CAS: 14806-50-9 Cat. No.: D155285 Molecular Weight: 486.35 EC Number: 238-873-7 PubChem CID: 16211729

GRADE & PURITY ≥96%

Synonyms

DODCI | 3-ethyl-2-[5-(3-ethyl-2,3-dihydro-1,3-benzoxazol-2-ylidene)penta-1,3-dien-1-yl]-1,3-benzoxazol-3-ium iodide | AS-74631 | J-008437 | 3,3'-Diethyloxadicarbocyanine iodide | 3-Ethyl-2-(5-(3-ethylbenzo[d]oxazol-2(3H)-ylidene)penta-1,3-dien-1-yl)benzo[

Storage

Room temperature

Shipped In

Normal

Overview

Product Describtion:

3,3′-Diethyloxadicarbocyanine iodide, also known as DODCI is a laser dye that belongs to the group of cyanine dyes.

Product Application：

3,3′-Diethyloxadicarbocyanine iodide is a suitable dye for mode-locking both pulsed and cw tunable rhodamine 6G lasers. It has been used as a micellar probe as it is positively charged and it stays at the micelle–water interface.

Specifications

Synonyms

DODCI | 3-ethyl-2-[5-(3-ethyl-2, 3-dihydro-1, 3-benzoxazol-2-ylidene)penta-1, 3-dien-1-yl]-1, 3-benzoxazol-3-ium iodide | AS-74631 | J-008437 | 3, 3'-Diethyloxadicarbocyanine iodide | 3-Ethyl-2-(5-(3-ethylbenzo[d]oxazol-2(3H)-ylidene)penta-1, 3-dien-1-yl)benzo[

Specifications & Purity

≥96%

Storage

Room temperature

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 488199119
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199119
• Canonical Smiles: CCN1C2=CC=CC=C2OC1=CC=CC=CC3=[N+](C4=CC=CC=C4O3)CC.[I-]
• IUPAC Name: (2E)-3-ethyl-2-[(2E,4E)-5-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole;iodide
• InChIKey: CLDZYSUDOQXJOU-UHFFFAOYSA-M
• INCHI: 1S/C23H23N2O2.HI/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1
• Isomeric SMILES: CCN\1C2=CC=CC=C2O/C1=C/C=C/C=C/C3=[N+](C4=CC=CC=C4O3)CC.[I-]
• PubChem CID: 16211729
• Molecular Weight: 486.35
• Reaxy-Rn: 4118833

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzoxazolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzoxazolines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoxazolines
• Alternative Parents: Benzoxazoles Benzenoids Oxazoles Heteroaromatic compounds Ketene acetals Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic iodide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoxazole - Benzoxazoline - Benzenoid - Azole - Oxazole - Heteroaromatic compound - Ketene acetal or derivatives - Oxacycle - Azacycle - Organic iodide salt - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoxazolines. These are organic compounds containing a benzene ring fused to an oxazoline ring. Oxazoline is five-membered unsaturated ring with a nitrogen atom and an oxygen atom at the 1- and 3-position, respectively. Additionally, it contains two double bonds.
• External Descriptors: cyanine dye - organic iodide salt - 1,3-benzoxazoles

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Light Sensitive
• Melt Point(°C): 232 °C
• Molecular Weight: 486.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 486.08 Da
• Monoisotopic Mass: 486.08 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 537.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 3
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 3
• Covalently-Bonded Unit Count: 2

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