CAS 115970-66-6 IR 783 - Materials / Alfa Chemistry

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Photonic and Optical Materials

Cyanine Dyes, Squarylium Dyes

IR 783

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Catalog Number

ACM115970666-1

Product Name

IR 783

Structure

CAS

115970-66-6

Category

Cyanine Dyes, Squarylium Dyes

Synonyms

2-[2-[2-Chloro-3-[2-[1,3-dihydro-3,3-dimethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene]ethylidene]-1-cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfobutyl)-3H-indolium Inner Salt Sodium Salt Sodium 4-[2-[2-[2-Chloro-3-[2-[3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate

Description

Alfa Chemistry offers high-purity IR 783 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

sodium;4-[2-[2-[2-chloro-3-[2-[3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate

Molecular Weight

749.35

Molecular Formula

C38H46ClN2NaO6S2

Canonical SMILES

CC1(C2=CC=CC=C2[N+](=C1C=CC3=C(C(=CC=C4C(C5=CC=CC=C5N4CCCCS(=O)(=O)[O-])(C)C)CCC3)Cl)CCCCS(=O)(=O)[O-])C.[Na+]

InChI

InChI=1S/C38H47ClN2O6S2.Na/c1-37(2)30-16-5-7-18-32(30)40(24-9-11-26-48(42,43)44)34(37)22-20-28-14-13-15-29(36(28)39)21-23-35-38(3,4)31-17-6-8-19-33(31)41(35)25-10-12-27-49(45,46)47;/h5-8,16-23H,9-15,24-27H2,1-4H3,(H-,42,43,44,45,46,47);/q;+1/p-1

InChI Key

QQIQAVJARACLHE-UHFFFAOYSA-M

Melting Point

212 °C

Purity

>98.0%(HPLC)

Appearance

Red to Dark blue to Black powder to crystal

Application

Squarylium dye (SQ), which is an analogue of cyanine dye, has a squaraine moiety in the center of the π-conjugate. The SQ dye has a zwitterion structure in which the cation and anion coexist in the molecule, although the cyanine dye has a separated cation component.

Complexity

1460

Covalently-Bonded Unit Count

Exact Mass

748.238352g/mol

Features And Benefits

The SQ was conventionally used as a charge generation material for an organic photo conductors. Recently, SQ provided a sensitizer for organic solar cells originating from a strong absorption in near infrared area. In addition, the SQ dye was applied to an organic light-emitting diode because it shows efficient red luminescence.

Formal Charge

Heavy Atom Count

MDL Number

MFCD03093208

MeSH Entry Terms

2-(2-(2-Chloro-3-(2-(1,3-dihydro-3,3-dimethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene)-ethylidene)-1-cyclohexen-1-yl)-ethenyl)-3,3-dimethyl-1-(4-sulfobutyl)-3H-indolium hydroxide, inner salt sodium salt;IR-783

Monoisotopic Mass

748.238352g/mol

Rotatable Bond Count

Storage Conditions

Store at room temperature and dry

MSDS

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COA

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Spec Sheet

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