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Sodium 4-{(2E)-2-[(2E)-2-(2-chloro-3-{(E)-2-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]vinyl}-2-cyclohexen-1-ylidene)ethylidene]-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl}-1-buta nesulfonate | CAS No. 172616-80-7

Sodium 4-{(2E)-2-[(2E)-2-(2-chloro-3-{(E)-2-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]vinyl}-2-cyclohexen-1-ylidene)ethylidene]-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl}-1-buta nesulfonate

Basic Information

Chemical_Structure_Of
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CAS Number

172616-80-7

Molecular Formula

C46H50ClN2NaO6S2

Molecular Weight

849.47 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Dyes and Pigments Organic Dyes
Fine Chemicals Surfactants Anionic Surfactants
Agricultural Chemicals Pesticides Herbicides
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

>300 °C

SMILES

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CC1(c2c3ccccc3ccc2[N+](=C1/C=C/C4=C(/C(=C/C=C/5\C(c6c7ccccc7ccc6N5CCCCS(=O)(=O)[O-])(C)C)/CCC4)Cl)CCCCS(=O)(=O)[O-])C.[Na+]

InChI

InChI=1S/C46H51ClN2O6S2.Na/c1-45(2)40(48(28-9-11-30-56(50,51)52)38-24-20-32-14-5-7-18-36(32)42(38)45)26-22-34-16-13-17-35(44(34)47)23-27-41-46(3,4)43-37-19-8-6-15-33(37)21-25-39(43)49(41)29-10-12-31-57(53,54)55;/h5-8,14-15,18-27H,9-13,16-17,28-31H2,1-4H3,(H-,50,51,52,53,54,55);/q;+1/p-1

InChIKey

RANIQVAJHXBIAY-UHFFFAOYSA-M

LogP

12.04650

Complexity

1710

Synonyms & References

English

  • New Indocyanine Green
  • 2-[2-[2-Chloro-3-[[1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benzo[e]indol-2-ylidene]-ethylidene]-1-cyclohexen-1-yl]-ethenyl]-1,1-dimethyl-3-(4-sulfobutyl)-1H-benzo[e]indolium hydroxide inner salt sodium salt
  • IR-820
  • 2-(2-(2-Chloro-3-((1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benzo[e]indol-2-ylidene)ethylidene)-1-cyclohexen-1-yl]
  • 2-[2-[2-chloro-3-[[1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2h-benzo[e]indol-2-ylidene]-ethyliden
  • IR-820,2-[2-[2-Chloro-3-[[1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benzo[e]indol-2-ylidene]-ethylidene]-1-cyclohexen-1-yl]-ethenyl]-1,1-dimethyl-3-(4-sulfobutyl)-1H-benzo[e]indolium hydroxide inne
  • 2-[2-[2-Chloro-3-[[1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benzo[e]indol-2-ylidene]-ethylidene]-1-cyclohexen-1-yl]-ethenyl]-1,1-dimethyl-3-(4-sulfobutyl)-1H-benzo(e)indolium hydroxide, inner salt
  • 2-[2-[2-CHLORO-3-[[1,3-DIHYDRO-1,1-DIMETHYL-3-(4-SULFOBUTYL)-2H-BENZO[E]INDOL-2-YLIDENE]-ETHYLIDENE]-1-CYCLOHEXEN-1-YL]-ETHENYL]-1,1-DIMETHYL-3-(4-SULFOBUTYL)-1H-BENZO(E)INDOLIUM HYDROXIDE, INNER SALT, SODIUM SALT
  • New Indocyanine Green, 2-[2-[2-Chloro-3-[[1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benzo[e]indol-2-ylidene]-ethylidene]-1-cyclohexen-1-yl]-ethenyl]-1,1-dimethyl-3-(4-sulfobutyl)-1H-benzo[e]indolium hydroxide inner salt, sodium salt
  • IR-820 Dye content 80 %
  • New Indocyanine Green, dye content 80 %
  • 2-[2-[2-chloro-3-[[1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2h-benzo[e]indol-2-ylidene]-ethylidene]-1-cyclohexen-1-yl]-ethenyl]-1,1-dimethyl-3-(4-sulfobutyl)-1h-benzo[e]indolium hydroxide inner salt, sodium salt
  • NEW INDOCYANINE GREEN

MDL Number

MFCD04038859

Customs Code

32129000

FAQ

What is Sodium 4-{(2E)-2-[(2E)-2-(2-chloro-3-{(E)-2-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]vinyl}-2-cyclohexen-1-ylidene)ethylidene]-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl}-1-buta nesulfonate (CAS: 172616-80-7)?
Sodium 4-{(2E)-2-[(2E)-2-(2-chloro-3-{(E)-2-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]vinyl}-2-cyclohexen-1-ylidene)ethylidene]-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl}-1-buta nesulfonate is a complex organic compound with a unique structure. It contains a sodium salt of a benzo[e]indole derivative with multiple functional groups including chloro, sulfonate, and cyclohexenylidene. This compound has a high molecular weight and is water-soluble, making it suitable for various applications in pharmaceuticals and research.

What are the main uses of Sodium 4-{(2E)-2-[(2E)-2-(2-chloro-3-{(E)-2-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]vinyl}-2-cyclohexen-1-ylidene)ethylidene]-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl}-1-buta nesulfonate (CAS: 172616-80-7)?
Sodium 4-{(2E)-2-[(2E)-2-(2-chloro-3-{(E)-2-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]vinyl}-2-cyclohexen-1-ylidene)ethylidene]-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl}-1-buta nesulfonate is primarily used in pharmaceutical research and development as a potential drug candidate. It is also utilized in chemical synthesis and as a reagent in analytical chemistry. Due to its complex structure, it may have applications in materials science and as a component in certain industrial processes.

Is Sodium 4-{(2E)-2-[(2E)-2-(2-chloro-3-{(E)-2-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]vinyl}-2-cyclohexen-1-ylidene)ethylidene]-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl}-1-buta nesulfonate (CAS: 172616-80-7) safe?
Sodium 4-{(2E)-2-[(2E)-2-(2-chloro-3-{(E)-2-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]vinyl}-2-cyclohexen-1-ylidene)ethylidene]-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl}-1-buta nesulfonate is generally safe when handled with appropriate precautions. However, it may pose health risks if ingested, inhaled, or contacted with the skin or eyes. It is important to follow safety guidelines, including the use of protective equipment such as gloves and goggles, and to ensure proper ventilation. Storage should be in a secure, labeled container away from direct sunlight and heat sources.

How should Sodium 4-{(2E)-2-[(2E)-2-(2-chloro-3-{(E)-2-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]vinyl}-2-cyclohexen-1-ylidene)ethylidene]-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl}-1-buta nesulfonate (CAS: 172616-80-7) be stored?
Sodium 4-{(2E)-2-[(2E)-2-(2-chloro-3-{(E)-2-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]vinyl}-2-cyclohexen-1-ylidene)ethylidene]-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl}-1-buta nesulfonate should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation. The storage area should have appropriate ventilation to minimize the risk of inhalation. It is crucial to store the compound out of reach of children and to follow all safety guidelines provided by the manufacturer.

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Supplier Information

Sodium 4-{(2E)-2-[(2E)-2-(2-chloro-3-{(E)-2-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]vinyl}-2-cyclohexen-1-ylidene)ethylidene]-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl}-1-buta nesulfonate — HuBeiJiFeiYiYao Chemical Co Ltd

HuBeiJiFeiYiYao Chemical Co Ltd

CAS Number: 172616-80-7

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Sodium 4-{(2E)-2-[(2E)-2-(2-chloro-3-{(E)-2-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]vinyl}-2-cyclohexen-1-ylidene)ethylidene]-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl}-1-buta nesulfonate — Hubei Yunmei Technology Co., Ltd.

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Sodium 4-{(2E)-2-[(2E)-2-(2-chloro-3-{(E)-2-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]vinyl}-2-cyclohexen-1-ylidene)ethylidene]-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl}-1-buta nesulfonate — Shanghai Yinxin Laboratory Equipment Co., Ltd.

Shanghai Yinxin Laboratory Equipment Co., Ltd.

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Sodium 4-{(2E)-2-[(2E)-2-(2-chloro-3-{(E)-2-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]vinyl}-2-cyclohexen-1-ylidene)ethylidene]-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl}-1-buta nesulfonate — Jin Jinle (Hunan) Chemical Co., Ltd.

Jin Jinle (Hunan) Chemical Co., Ltd.

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Hubei Tuopan Chemical Co., Ltd.

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Sodium 4-{(2E)-2-[(2E)-2-(2-chloro-3-{(E)-2-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]vinyl}-2-cyclohexen-1-ylidene)ethylidene]-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl}-1-buta nesulfonate — Shanghai Yuyeh Biotechnology Co., Ltd.

Shanghai Yuyeh Biotechnology Co., Ltd.

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Sodium 4-{(2E)-2-[(2E)-2-(2-chloro-3-{(E)-2-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]vinyl}-2-cyclohexen-1-ylidene)ethylidene]-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl}-1-buta nesulfonate — HuBeiYongKuo Technology Co Ltd

HuBeiYongKuo Technology Co Ltd

CAS Number: 172616-80-7

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Sodium 4-{(2E)-2-[(2E)-2-(2-chloro-3-{(E)-2-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]vinyl}-2-cyclohexen-1-ylidene)ethylidene]-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl}-1-buta nesulfonate — HuBeiShiShun Biotechnology Co Ltd

HuBeiShiShun Biotechnology Co Ltd

CAS Number: 172616-80-7

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