5726-09-0

Basic information

• Product Name: 2-{[5-(4-chlorophenyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1H-pyrrol-2-yl)ethanone
• CAS NO: 5726-09-0
• Molecular Formula: C₂₁H₁₇ClN₄OS
• Molecular Weight: 408.9039
• Mol File: 5726-09-0.mol
• Article Data: 0

Chemical Properties

• Boiling Point: 658.2°C at 760 mmHg
• Flash Point: 351.9°C
• Density: 1.35g/cm³
• Vapor Pressure: 3.36E-17mmHg at 25°C
• Refractive Index: 1.69
• CAS DataBase Reference: 2-{[5-(4-chlorophenyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1H-pyrrol-2-yl)ethanone(CAS DataBase Reference)
• NIST Chemistry Reference: 2-{[5-(4-chlorophenyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1H-pyrrol-2-yl)ethanone(5726-09-0)
• EPA Substance Registry System: 2-{[5-(4-chlorophenyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1H-pyrrol-2-yl)ethanone(5726-09-0)

Safety Data

• Hazardous Substances Data: 5726-09-0(Hazardous Substances Data)

Usage

Molecular structure

2-[5-(4-chlorophenyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone is a complex organic compound with a 1,2,4-triazole ring, a sulfanyl group, a pyrrole ring, and a ketone functional group.

Chlorophenyl group

The compound contains a 4-chlorophenyl group, which is a phenyl ring with a chlorine atom attached to the fourth carbon.

Methylphenyl group

It also has a 3-methylphenyl group, which is a phenyl ring with a methyl group attached to the third carbon.

Triazolyl moiety

The chlorophenyl and methylphenyl groups are both attached to the 4H-1,2,4-triazol-3-yl moiety, which is a five-membered ring with three nitrogen atoms and two carbon atoms.

Sulfanyl group

The compound contains a sulfanyl group (-S), which is a sulfur atom with two single bonds and one unshared electron pair.

Pyrrole ring

The compound has a 1H-pyrrol-2-yl group, which is a five-membered heterocyclic ring with one nitrogen atom and four carbon atoms.

Ketone functional group

The compound also has an ethanone (keto) group, which is a carbonyl group (C=O) bonded to an ethyl group (CH3-CH2-).

Potential applications

Due to its complex structure and various functional groups, this compound may have potential applications in pharmaceuticals, agrochemicals, or materials science.

Biological activity

The compound's structure suggests that it may exhibit biological activity or reactivity, which could be useful in the development of new drugs or other applications.

Further research needed

To determine the specific properties and potential uses of this compound, additional research and testing would be required.