CAS 134127-48-3 IR-813 p-Toluenesulfonate - Materials / Alfa Chemistry

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Near-Infrared (NIR) Dyes

IR-813 p-Toluenesulfonate

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Catalog Number

ACM134127483-1

Product Name

IR-813 p-Toluenesulfonate

Structure

CAS

134127-48-3

Category

Near-Infrared (NIR) Dyes

Synonyms

2-[2-[2-Chloro-3-[2-(1,3-dihydro-1,1,3-trimethyl-2H-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-1H-benz[e]indolium 4-Methylbenzenesulfonate 2-Chloro-3-[2-(1,1,3-trimethylbenz[e]indolin-2-ylidene)ethylidene]-1-[2-(1,1,3-trimethylbenz[e]indolium-2-yl)vinyl]cyclohexene p-Toluenesulfonate

Description

Alfa Chemistry offers high-purity IR-813 p-Toluenesulfonate 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)-2-[(2E)-2-[2-chloro-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1,3-trimethylbenzo[e]indole;4-methylbenzenesulfonate

Molecular Weight

755.41

Molecular Formula

C47H47ClN2O3S

Canonical SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)C=CC4=C(C(=CC=C5C(C6=C(N5C)C=CC7=CC=CC=C76)(C)C)CCC4)Cl)C

InChI

InChI=1S/C40H40ClN2.C7H8O3S/c1-39(2)34(42(5)32-22-18-26-12-7-9-16-30(26)36(32)39)24-20-28-14-11-15-29(38(28)41)21-25-35-40(3,4)37-31-17-10-8-13-27(31)19-23-33(37)43(35)6;1-6-2-4-7(5-3-6)11(8,9)10/h7-10,12-13,16-25H,11,14-15H2,1-6H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChI Key

LQVQHHTYXSPHSQ-UHFFFAOYSA-M

Purity

>98.0%(HPLC)

Appearance

Orange to Brown to Dark purple powder to crystal

Application

Applications using these organic dyes include security markings, lithography, optical recording media and optical filters. In order to increase power conversion efficiency of an organic solar cell, efficient near infrared dyes are required, because sunlight includes near infrared light. Furthermore, near infrared dyes are expected to be biomaterials for chemotherapy and imaging deep-tissue in-vivo by using luminescent phenomena in the near infrared region.

Complexity

1360

Covalently-Bonded Unit Count

Exact Mass

754.299592g/mol

Features And Benefits

Near infrared dyes show light absorption in the near infrared area of 700-2000 nm. Their intense absorption normally originates from a charge transfer of an organic dye or metal complex.

Formal Charge

Heavy Atom Count

MDL Number

MFCD03093252

Monoisotopic Mass

754.299592g/mol

Rotatable Bond Count

Storage Conditions

Store at room temperature and dry

MSDS

Download MSDS

COA