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207399-07-3

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207399-07-3 Structure

207399-07-3 Structure
IdentificationBack Directory
[Name]

2-[2-[2-CHLORO-3-[(1,3-DIHYDRO-3,3-DIMETHYL-1-PROPYL-2H-INDOL-2-YLIDENE)ETHYLIDENE]-1-CYCLOHEXEN-1-YL]ETHENYL]-3,3-DIMETHYL-1-PROPYLINDOLIUM IODIDE
[CAS]

207399-07-3
[Synonyms]

IR780
11-ChL
IR-780 IODIDE
-10,12-trimethyL
IR-780 iodide Dye
oro-1,1'-di-n-propyL
-3,3,3',3'-tetramethyL
eneindatricarbocyanine iodide
IR-780 iodide Dye content 98 %
IR-780 iodide, Dye content: 95%
11-CHLORO-1,1''-DIPROPYL-3,3,3'',3''-TETRAMETHYL-10,12-TRIMETHYLENEINDATRICARBOCYANINE IODIDE
11-Chloro-1,1'-di-n-propyl-3,3,3',3'-tetraMethyl-10,12-triMethyleneindatricarbocyanine iodide
2-(2-(2-Chloro-3-(2-(1,3-dihydro-1-(prop-1-yl)-3,3-trimethyl-2H-indol-2-ylidene)ethylidene)-1-cyclohexen-1-yl)ethenyl)-
2-(2-(2-Chloro-3-(-2-(3,3-dimethyl-1-propylindolin-2-ylidene)ethylidene)cyclohex-1-enyl)vinyl)-3,3-dimethyl-1-propyl-3H-indolium iodide
2-[2-[2-CHLORO-3-[(1,3-DIHYDRO-3,3-DIMETHYL-1-PROPYL-2H-INDOL-2-YLIDENE)ETHYLIDENE]-1-CYCLOHEXEN-1-YL]ETHENYL]-3,3-DIMETHYL-1-PROPYLINDOLIUM IODIDE
2-((E)-2-((E)-2-chloro-3-((Z)-2-(3,3-diMethyl-1-propylindolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3,3-diMethyl-1-propyl-3H-indol-1-iuM iodide
IR-780 iodide,2-[2-[2-Chloro-3-[(1,3-dihydro-3,3-dimethyl-1-propyl-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-propylindolium iodide
2-[(Z)-2-{(3E)-2-Chloro-3-[(2E)-2-(3,3-dimethyl-1-propyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl}vinyl]-3,3-dimethyl-1-propyl-3H-indolium iodide
2-[2-[2-CHLORO-3-[2-(1,3-DIHYDRO-1-(PROP-1-YL)-3,3-TRIMETHYL-2H-INDOL-2-YLIDENE)-ETHYLIDENE]-1-CYCLOHEXEN-1-YL]ETHENYL]-1-(PROP-1-YL)-3,3-TRIMETHYL-3H-INDOLIUM IODIDE
[Molecular Formula]

C36H44ClIN2
[MDL Number]

MFCD00191907
[MOL File]

207399-07-3.mol
[Molecular Weight]

667.11
Chemical PropertiesBack Directory
[Melting point ]

232-234 °C(lit.)
[storage temp. ]

Store at -20°C
[solubility ]

It is soluble in methanol.
[form ]

A crystalline solid
[color ]

Green to dark green
[λmax]

780 nm
[InChIKey]

IRPKBYJYVJOQHQ-UHFFFAOYSA-M
[SMILES]

C(N1C(C(C)(C)C2C=CC=CC1=2)=CC=C1CCCC(C=CC2C(C3C=CC=CC=3[N+]=2CCC)(C)C)=C1Cl)CC.[I-]
[EPA Substance Registry System]

3H-Indolium, 2-[2-[2-chloro-3-[(1,3-dihydro- 3,3-dimethyl-1-propyl-2H- indol-2-ylidene)ethylidene]- 1-cyclohexen-1-yl]ethenyl]- 3,3-dimethyl-1-propyl-, iodide(207399-07-3)
Safety DataBack Directory
[Risk Statements ]

36/37/38
[Safety Statements ]

22-24/25-60-37-26-23
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

11-Chloro-1,1'-di-n-propyl-3,3,3',3'-tetramethyl-10,12-trimethyleneindatricarbocyanine iodide is used as a laser and IR dye. It is also used as lithographic computer to plate laser applications.
[General Description]

IR-780 iodide is a near-infrared lipophilic cation heptamethine fluorescent dye. It has a good fluorescent intensity and can be used as a photothermal therapy agent. It shows an optical absorption spectrum of 780 nm that makes it useful as a sonodynamic therapy agent for medical treatment.
Spectrum DetailBack Directory
[Spectrum Detail]

2-[2-[2-CHLORO-3-[(1,3-DIHYDRO-3,3-DIMETHYL-1-PROPYL-2H-INDOL-2-YLIDENE)ETHYLIDENE]-1-CYCLOHEXEN-1-YL]ETHENYL]-3,3-DIMETHYL-1-PROPYLINDOLIUM IODIDE(207399-07-3)1HNMR
2-[2-[2-CHLORO-3-[(1,3-DIHYDRO-3,3-DIMETHYL-1-PROPYL-2H-INDOL-2-YLIDENE)ETHYLIDENE]-1-CYCLOHEXEN-1-YL]ETHENYL]-3,3-DIMETHYL-1-PROPYLINDOLIUM IODIDE(207399-07-3)FT-IR
2-[2-[2-CHLORO-3-[(1,3-DIHYDRO-3,3-DIMETHYL-1-PROPYL-2H-INDOL-2-YLIDENE)ETHYLIDENE]-1-CYCLOHEXEN-1-YL]ETHENYL]-3,3-DIMETHYL-1-PROPYLINDOLIUM IODIDE(207399-07-3)IR
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