63834-91-3

Basic information

• Product Name: 1H-Benzimidazolium, 2-[3-[1,3-dihydro-1-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-1-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, hydroxide, inner salt, sodium salt
• Synonyms: 1H-Benzimidazolium, 2-[3-[1,3-dihydro-1-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-1-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, hydroxide, inner salt, sodium salt;2-[3-[[2,3-Dihydro-1-methyl-3-[4-(sodiosulfo)butyl]-5-(trifluoromethyl)-1H-benzimidazol]-2-ylidene]-1-propenyl]-1-methyl-3-(4-sulfonatobutyl)-5-(trifluoromethyl)-1H-benzimidazol-3-ium
• CAS NO: 63834-91-3
• Molecular Formula: C29H31F6N4NaO6S2
• Molecular Weight: 732.6898292
• EINECS: 264-508-6
• Mol File: 63834-91-3.mol
• Article Data: 0

Chemical Properties

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Appearance: /
• Density: g/cm³
• CAS DataBase Reference: 1H-Benzimidazolium, 2-[3-[1,3-dihydro-1-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-1-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, hydroxide, inner salt, sodium salt(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Benzimidazolium, 2-[3-[1,3-dihydro-1-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-1-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, hydroxide, inner salt, sodium salt(63834-91-3)
• EPA Substance Registry System: 1H-Benzimidazolium, 2-[3-[1,3-dihydro-1-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-1-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, hydroxide, inner salt, sodium salt(63834-91-3)

Safety Data

• Hazardous Substances Data: 63834-91-3(Hazardous Substances Data)

Usage

Molecular structure

1H-Benzimidazolium, 2-[3-[1,3-dihydro-1-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-1-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, hydroxide, inner salt, sodium salt is a complex organic compound with a benzimidazole core and multiple functional groups.

Sulfobutyl

A sulfate ester group derived from butanol.

Trifluoromethyl

A carbon-based group with three fluorine atoms.

Charged species

The compound is an inner salt, which means it contains both positively and negatively charged ions. The sodium salt form indicates the presence of sodium cations (Na+).

Hydroxide group

The compound also contains a hydroxide group (OH-), which can participate in hydrogen bonding and酸碱反应 (acid-base reactions).

Unique chemical properties

Due to its complex structure and multiple functional groups, 1H-Benzimidazolium, 2-[3-[1,3-dihydro-1-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-1-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, hydroxide, inner salt, sodium salt likely exhibits unique chemical properties, such as solubility, reactivity, and stability.

Potential applications

The specific uses of this compound in various industries or scientific research would need further investigation. Possible applications may include pharmaceuticals, materials science, or as a catalyst in chemical reactions.

Safety and hazards

The potential hazards and safety concerns associated with 1H-Benzimidazolium, 2-[3-[1,3-dihydro-1-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-1-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, hydroxide, inner salt, sodium salt would also require further research and analysis to determine appropriate handling and storage procedures.

InChI:InChI=1/C29H34F6N4O6S2.Na/c1-36-22-12-10-20(28(30,31)32)18-24(22)38(14-3-5-16-46(40,41)42)26(36)8-7-9-27-37(2)23-13-11-21(29(33,34)35)19-25(23)39(27)15-4-6-17-47(43,44)45;/h7-13,18-19,26H,3-6,14-17H2,1-2H3,(H,40,41,42)(H,43,44,45);/q;+1/p-1