85005-71-6

Basic information

• Product Name: 2-[[4-[butyl(2-cyanoethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium acetate
• Synonyms: 2-[[4-[butyl(2-cyanoethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium acetate;Benzothiazolium, 2-[[4-[butyl(2-cyanoethyl) amino]phenyl]azo]-6-methoxy-3-methyl-, acetate;Einecs 285-003-7
• CAS NO: 85005-71-6
• Molecular Formula: C24H29N5O3S
• Molecular Weight: 467.58376
• EINECS: 285-003-7
• Product Categories: Organics
• Mol File: 85005-71-6.mol
• Article Data: 0

Chemical Properties

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Appearance: /
• Density: g/cm³
• CAS DataBase Reference: 2-[[4-[butyl(2-cyanoethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium acetate(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[[4-[butyl(2-cyanoethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium acetate(85005-71-6)
• EPA Substance Registry System: 2-[[4-[butyl(2-cyanoethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium acetate(85005-71-6)

Safety Data

• Hazardous Substances Data: 85005-71-6(Hazardous Substances Data)

Usage

Molecular structure

A complex organic compound with a benzothiazolium core, a butyl(2-cyanoethyl)amino substituent on one side, a phenylazo group on the other side, a methoxy group, and a methyl group.

Counter ion

Acetate molecule is added as the counter ion, making it a salt.

Chemical classification

Heterocyclic compound, containing both nitrogen and sulfur atoms in its structure.

Potential applications

Possible uses in pharmaceuticals, dyes, and materials science industries due to its unique structure and properties.

Physical state

Likely a solid at room temperature, as most organic salts are not volatile.

Solubility

May be soluble in polar solvents such as water, methanol, or acetone, due to the presence of polar functional groups (e.g., cyano, amino, and acetate).

Stability

The compound's stability may be influenced by factors such as temperature, light exposure, and the presence of other chemicals. Proper storage conditions should be maintained to ensure its stability.

Reactivity

The presence of various functional groups (e.g., cyano, amino, and methoxy) may make the compound reactive with certain reagents or under specific conditions. Care should be taken when handling or using the compound in chemical reactions.

Color

The color of the compound is not specified in the provided material, but the presence of the phenylazo group may impart a color to the compound, depending on its electronic structure.

Spectroscopic properties

The compound's unique structure may result in distinct spectroscopic signatures, such as UV-Vis, NMR, or IR spectra, which can be used for identification and characterization purposes.

InChI:InChI=1/C22H26N5OS.C2H4O2/c1-4-5-14-27(15-6-13-23)18-9-7-17(8-10-18)24-25-22-26(2)20-12-11-19(28-3)16-21(20)29-22;1-2(3)4/h7-12,16H,4-6,14-15H2,1-3H3;1H3,(H,3,4)/q+1;/p-1