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

NAVIGATION

IR 783

PRICE INQUIRY

Catalog Number

ACM115970666-1

CAS Number

115970-66-6

Product Name

IR 783

Structure

Category

Cyanine Dyes, Squarylium Dyes; Other Materials

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

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

If you have any other questions or need other size, please get a quote.