Basic information
- CAS
18462-64-1- Standard SMILES
CCN1/C(=C\C=C\c2n(CC)c3cc(Cl)c(Cl)cc3[n+]2CCCCS(=O)(=O)[O-])N(CCCCS(=O)(=O)[O-])c2cc(Cl)c(Cl)cc21.[Na+]- InChIKey
TXMPYASSIDQAKQ-UHFFFAOYSA-M- Molecular formula
- C29H33Cl4N4NaO6S2
- Average molar mass
- 762.5 g/mol
- Monoisotopic mass
- 760.049332
Overview
See other relationships...
Names & identifiers
- Preferred name
- hydrogen 5,6-dichloro-2-(3-(2h-benzimidazol-2-ylidene-5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulphonatobutyl))propen-1-yl)-1-ethyl-3-(4-sulphonatobutyl)-1h-benzimidazolium, sodium salt
- IUPAC
- sodium 4-[(2E)-5,6-dichloro-2-[(E)-3-[5,6-dichloro-1-ethyl-3-(4-sulfonatobutyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonate
- English name
- 5,6-Dichloro-1-ethyl-3-sulfobutyl-2-(3-(5,6-dichloro-1-ethyl-3-sulfobutyl benzimidazolinylidene-1-propenyl) benzimidazolium hydroxide, inner salt,sodium salt
- Molecular formula
- C29H35Cl4N4NaO6S2
- Molecular weight
- 764.53
Names & synonyms
1H-Benzimidazolium, 5,6-dichloro-2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulfobutyl)-2H-benzimidazol-2-ylidene)-1-propen-1-yl)-1-ethyl-3-(4-sulfobutyl)-, inner salt, sodium salt (1:1)Hydrogen 5,6-dichloro-2-(3-(2H-benzimidazol-2-ylidene-5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulphonatobutyl))propen-1-yl)-1-ethyl-3-(4-sulphonatobutyl)-1H-benzimidazolium, sodium saltHydrogen 5,6-dichloro-2-[3-[2H-benzimidazol-2-ylidene-5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulphonatobutyl)]propen-1-yl]-1-ethyl-3-(4-sulphonatobutyl)-1H-benzimidazolium, sodium salt1H-Benzimidazolium, 5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-1-ethyl-3-(4-sulfobutyl)-, inner salt, sodium salt (1:1)RefChem:789060242-344-618462-64-1TDBC Sodium1H-Benzimidazolium, 5,6-dichloro-2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulfobutyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-1-ethyl-3-(4-sulfobutyl)-, inner salt, sodium salt1H-Benzimidazolium, 5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-1-ethyl-3-(4-sulfobutyl)-, inner salt, sodium salt5,5',6,6'-Tetrachloro-1,1'-diethyl-3,3'-bis(4-sulfobutyl)benzimidazolocarbocyanine sodium saltsodium;4-[(2E)-5,6-dichloro-2-[(E)-3-[5,6-dichloro-1-ethyl-3-(4-sulfonatobutyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonate
Show more names
5,6-dichloro-2-((5,6-dichloro-1-ethyl-3-(4-sulfobutyl)benzimidazol-2-ylidene)propenyl)-1-ethyl-3-(4-sulfobutyl)benzimidazolium inner salt sodiumroxide,innersalt,sodiumsalt5,6-Dichloro-1-ethyl-3-sulfobutyl-2-(3-(5,6-dichloro-1-ethyl-3-sulfobutyl1h-benzimidazolium,5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-su5,6-DICHLORO-1-ETHYL-3-SULFOBUTYL-2-(3-(5,6-DICHLORO-1-ETHYL-3-SULFOBUTYL BENZIMIDAZOLINYLIDENE-1-PROPENYL) BENZIMIDAZOLIUM HYDROXIDE, INNER SALT5,6-Dichloro-2-[[5,6-dichloro-1-ethyl-3-(4-sulfobutyl)benzimidazol-2-ylidene]propenyl]-1-ethyl-3-(4-sulfobutyl)benzimidazolium inner salt sodium salt5-CHLORO-2-(2-((5-CHLORO-3-(4-SULFOBUTYL)-2-(3H)-BENZOTHIAZOLYLIDENE) METHYL-1-ETHENYL)-3-(4-SULFOPROPYL) BENZOTHIAZOLIUM HYDROXIDE, INNER SALT,SODIUM SALT5,6-Dichloro-1-ethyl-3-sulfobutyl-2-(3-(5,6-dichloro-1-ethyl-3-sulfobutyl benzimidazolinylidene-1-propenyl)benzimidazolium hydroxide, inner salt, sodium salt4-[(2E)-5,6-dichloro-2-[(E)-3-[5,6-dichloro-1-ethyl-3-(4-sulfonatobutyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonate5,6-Dichloro-1-ethyl-3-sulfobutyl-2-(3-(5,6-dichloro-1-ethyl-3-sulfobutyl benzimidazolinylidene-1-propenyl) benzimidazolium hydroxide, inner salt,sodium salt
EINECS 242-344-6DTXSID50939851EX-A4896FD153139Sodium;4-[5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(4-sulfonatobutyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonate5,6-Dichlor-1-ethyl-3-sulfobutyl-2-(3-(5,6-dichlor-1-ethyl-3-sulfobutylbenzimidazolinyliden)-1-propenyl)benzimidazoliumhydroxide5,6-Dichloro-1-ethyl-3-sulfobutyl-2-(3-(5,6-dichloro-1-ethyl-3-sulfobutylbenzimidazolinylidene-1-propenyl)benzimidazolium hydroxide, inner salt, sodium saltSodium 4-(5,6-dichloro-2-{3-[5,6-dichloro-3-ethyl-1-(4-sulfonatobutyl)-1H-1,3-benzimidazol-3-ium-2-yl]prop-2-en-1-ylidene}-3-ethyl-2,3-dihydro-1H-1,3-benzimidazol-1-yl)butane-1-sulfonate
Database identifiers
- CAS
18462-64-1- PubChem CID
- 5489979
- DTXSID
DTXSID50939851- EC Number
- 242-344-6
Properties
Computed structural properties
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,140
Physicochemical properties
- EPA Substance Registry System
- 1 H-Benzimidazolium, · 1H-Benzimidazolium, 5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-1-ethyl-3-(4-sulfobutyl)-, inner salt, sodium salt (18462-64-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Benzimidazolium, 5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-1-ethyl-3-(4-sulfobutyl)-, inner salt, sodium salt (1:1): INACTIVE
Suppliers17 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西星贝爱科生物科技有限责任公司029-13572876172 13572876172 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
上海波以尔化工有限公司[email protected]
江西洛特化工有限公司+8615270827708 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
资川生化科技(苏州)有限公司0512-66317708 13372112871 · [email protected]
上海芮珊医药科技有限公司02150565560; 17321237488 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
Novachemistry44-20819178-90 02081917890 · [email protected]
利翰（上海）生物科技有限公司13918779495 · [email protected]
江西洛特化工有限公司0791-0791-85061535 15270827708 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
重庆卡兰医药有限公司[email protected]
武汉鑫晟阳生物科技有限公司18402740988 18402740988 · [email protected]
资川生化科技(苏州)有限公司0512-66317708 13372112871 · [email protected]
Related reactions
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Compound notes
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