63148-91-4

Basic information

• Product Name: 1H-Benzimidazolium, 5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-1-ethyl-3-(3-sulfobutyl)-, hydroxide, inner salt, compd. with N,N-diethylethanamine (1:1)
• Synonyms: 1H-Benzimidazolium, 5,6-dichloro-2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulfobutyl)-2H-benzimidazol-2-ylidene)-1-propen-1-yl)-1-ethyl-3-(3-sulfobutyl)-, inner salt, compd. with N,N-diethylethanamine (1:1); 1H-Benzimidazolium, 5,6-dichloro-2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulfobutyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-1-ethyl-3-(3-sulfobutyl)-, hydroxide, inner salt, compd. with N,N-diethylethanamine (1:1); 1H-Benzimidazolium, 5,6-dichloro-2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulfobutyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-1-ethyl-3-(3-sulfobutyl)-, inner salt, compd. with N,N-diethylethanamine (1:1); 4-(5,6-dichloro-2-{3-[5,6-dichloro-1-ethyl-3-(3-sulfobutyl)-1H-3,1-benzimidazol-3-ium-2-yl]prop-2-en-1-ylidene}-3-ethyl-2,3-dihydro-1H-benzimidazol-1-yl)butane-2-sulfonate - N,N-diethylethanamine (1:1)
• CAS NO: 63148-91-4
• Molecular Formula: C₃₅H₄₉Cl₄N₅O₆S₂
• Molecular Weight: 841.7355
• EINECS: 263-943-9
• Product Categories: Organics
• Mol File: 63148-91-4.mol
• Article Data: 0

Chemical Properties

• CAS DataBase Reference: 1H-Benzimidazolium, 5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-1-ethyl-3-(3-sulfobutyl)-, hydroxide, inner salt, compd. with N,N-diethylethanamine (1:1)(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Benzimidazolium, 5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-1-ethyl-3-(3-sulfobutyl)-, hydroxide, inner salt, compd. with N,N-diethylethanamine (1:1)(63148-91-4)
• EPA Substance Registry System: 1H-Benzimidazolium, 5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-1-ethyl-3-(3-sulfobutyl)-, hydroxide, inner salt, compd. with N,N-diethylethanamine (1:1)(63148-91-4)

Safety Data

• Hazardous Substances Data: 63148-91-4(Hazardous Substances Data)

Usage

Benzimidazole Ring

The compound contains a benzimidazole ring, which is a heterocyclic compound consisting of a benzene ring fused to an imidazole ring.

Chlorine Atoms

The compound has chlorine atoms (Cl) attached to the benzimidazole ring, which can influence its reactivity and properties.

Sulfobutyl Groups

The presence of sulfobutyl groups (-CH2CH2CH2SO3H) in the compound can contribute to its solubility and reactivity in various solvents.

Inner Salt Form

The compound is in an inner salt form, which means it has a net charge of zero due to the presence of both positively and negatively charged ions within the molecule.

1-Ethyl Substitution

The benzimidazole ring has an ethyl group (-CH2CH3) attached to it, which can affect the compound's steric properties and reactivity.

1-Propenyl Substitution

The compound also has a 1-propenyl group (-CH2CH=CH2) attached to the benzimidazole ring, which can influence its chemical reactivity and potential applications.

Potential Applications

The complex structure of the compound suggests it may have potential applications in pharmaceuticals, materials science, or organic synthesis requiring advanced heterocyclic compounds.

Chemical Reactivity

The presence of various functional groups, such as chlorine atoms, sulfobutyl groups, and the 1-propenyl group, can influence the compound's reactivity in different chemical reactions.