31130-15-1

31130-15-1 - Names and Identifiers

Name	5-(4-methylphenyl)-1,3,4-oxadiazole-2-thiol
Synonyms	5-p-Tolyl-3H-[1,3,4]oxadiazole-2-thione 5-(p-Tolyl)-1,3,4-oxadiazole-2(3H)-thione 5-(4-methylphenyl)-1,3,4-oxadiazole-2-thiol 1,3,4-oxadiazole-2-thiol, 5-(4-methylphenyl)- 5-(4-methylphenyl)-3H-1,3,4-oxadiazole-2-thione 1,3,4-Oxadiazole-2(3H)-thione, 5-(4-methylphenyl)-
CAS	31130-15-1
InChI	InChI=1S/C9H8N2OS/c1-6-2-4-7(5-3-6)8-10-11-9(13)12-8/h2-5H,1H3,(H,11,13)

31130-15-1 - Physico-chemical Properties

Molecular Formula	C9H8N2OS
Molar Mass	192.24
Density	1.33±0.1 g/cm3(Predicted)
Melting Point	214-218°C(lit.)
Boling Point	262.6±33.0 °C(Predicted)
Flash Point	112.6 °C
pKa	4.39±0.70(Predicted)

31130-15-1 - Risk and Safety

Hazard Symbols	Xi - Irritant
WGK Germany	3
Hazard Class	IRRITANT

31130-15-1 - Introduction

5-(4-methylphenyl)-1,3,4-oxadiazole-2-thiol is an organic compound with the chemical formula C10H9N3OS. The following is an introduction to its nature, use, preparation and safety information:

Nature:
-Appearance: Colorless crystalline solid
-Melting point: 107-109 degrees Celsius
-Boiling point: 426.2 degrees Celsius
-Solubility: Soluble in most organic solvents

Use:
5-(4-methylphenyl)-1,3,4-oxadiazole-2-thiol has the following main uses:
-Optoelectronic devices: used as a functional material for organic light-emitting diodes (OLED), and can be used as a delayed fluorescence layer for fluorescent curing polymers and organic light-emitting materials.
-Flame retardant: Due to its thermal stability and combustion inhibition characteristics, it can be used as a flame retardant plasticizer additive.

Method:
The preparation of 5-(4-methylphenyl)-1,3,4-oxadiazole-2-thiol can generally be carried out by the following steps:
1. In the presence of hydrochloric acid, Aniline reacts with nitrous acid to generate para-nitroaniline.
2. Oxidation reaction of the obtained para-nitroaniline with thiol to generate para-nitroaniline -1-oxypropyl ester.
3. Under alkaline conditions, P-nitroaniline-1-oxypropyl Ester reacts with aromatic amines to generate the target product 5-(4-methylphenyl)-1,3,4-oxadiazole-2-thiol.

Safety Information:
Note the following safety information when using and handling this compound:
-This compound may be harmful to the environment and should be avoided from entering water or soil.
-Wear appropriate personal protective equipment such as gloves, goggles and masks during operation.
-Avoid inhalation or contact with skin and eyes. Good ventilation should be maintained during operation.
-If inhaled or swallowed, seek medical attention immediately and give the package or label to your doctor.
-Detailed safety information can be found in the relevant safety data sheet (SDS).

Last Update：2024-04-10 22:29:15