CAS 905-96-4 3,3'-Diethyloxacarbocyanine iodide

NAVIGATION

3,3'-Diethyloxacarbocyanine iodide

PRICE INQUIRY

Catalog Number

ACM905964-1

CAS Number

905-96-4

Product Name

3,3'-Diethyloxacarbocyanine iodide

Structure

Category

Cyanine Dyes, Squarylium Dyes; Other Materials

Synonyms

3-Ethyl-2-[3-[3-ethyl-2(3H)-benzoxazolylidene]-1-propenyl]benzoxazolium Iodide DOC Iodide DiOC2(3)

Description

Alfa Chemistry offers high-purity 3,3'-Diethyloxacarbocyanine Iodide products for various research purposes. Please contact us by email if you do not find the specification you are looking for on this page.

IUPAC Name

(2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole;iodide

Molecular Weight

460.32

Molecular Formula

C21H21IN2O2

Canonical SMILES

CCN1C2=CC=CC=C2OC1=CC=CC3=[N+](C4=CC=CC=C4O3)CC.[I-]

InChI

InChI=1S/C21H21N2O2.HI/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1

InChI Key

FIZZUEJIOKEFFZ-UHFFFAOYSA-M

Melting Point

276 °C

Purity

>98.0%(N)

Appearance

Orange to Brown to Dark red powder to crystaline

Application

Cyanine dyes are useful for silver photography, and optical recording media by laser sensitivity. Water-soluble cyanine dyes are usable as fluorescent probes in biochemical research.

Complexity

474

Covalently-Bonded Unit Count

EC Number

212-996-6

Exact Mass

460.06477g/mol

Features And Benefits

Cyanine dyes contain some N-heterocycles on both sides of the polymethine structure. The N-heterocycle on the one side is a cationic ammonium with an electron-withdrawing effect, and the other N-heterocycle is a tertiary amine with an electron-donating effect. Accordingly, cyanine dyes show the light absorption of a charge transfer through the central polymethine structure.

Formal Charge

Heavy Atom Count

MDL Number

MFCD00011952

MeSH Entry Terms

3,3'-diethyloxacarbocyanine;3,3'-diethyloxacarbocyanine iodide;DiOC2;DiOC2(3)

Monoisotopic Mass

460.06477g/mol

NSC Number

96929

Rotatable Bond Count

Storage Conditions