1457-92-7

Basic information

• Product Name: 4-METHYL-2,1,3-BENZOTHIADIAZOLE
• Synonyms: 4-METHYL-2,1,3-BENZOTHIADIAZOLE;4-METHYL-BENZO[1,2,5]THIADIAZOLE;4-METHYLBENZO-2,1,3-THIADIAZOLE;4-Methylbenzo[c][1,2,5]thiadiazole;2,1,3-Benzothiadiazole,4-Methyl-
• CAS NO: 1457-92-7
• Molecular Formula: C₇H₆N₂S
• Molecular Weight: 150.2
• Product Categories: Heterocycles series
• Mol File: 1457-92-7.mol
• Article Data: 13

Chemical Properties

• Melting Point: 157.5-158.8℃
• Boiling Point: 102-104℃ (12 Torr)
• Flash Point: 92.6±9.1℃
• Appearance: /
• Density: 1.297±0.06 g/cm3 (20 ºC 760 Torr)
• Vapor Pressure: 0.111mmHg at 25°C
• Refractive Index: 1.674
• Storage Temp.: Room temperature.
• CAS DataBase Reference: 4-METHYL-2,1,3-BENZOTHIADIAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-METHYL-2,1,3-BENZOTHIADIAZOLE(1457-92-7)
• EPA Substance Registry System: 4-METHYL-2,1,3-BENZOTHIADIAZOLE(1457-92-7)

Safety Data

• Hazardous Substances Data: 1457-92-7(Hazardous Substances Data)

Usage

General Description

4-METHYL-2,1,3-BENZOTHIADIAZOLE is a chemical compound with the molecular formula C8H7NS. It is a heterocyclic aromatic compound that contains a benzene ring fused to a thiadiazole ring. 4-METHYL-2,1,3-BENZOTHIADIAZOLE is used in various applications, including as a building block in the synthesis of organic compounds and pharmaceuticals. It has also been studied for its potential use as an organic semiconductor material. Furthermore, 4-METHYL-2,1,3-BENZOTHIADIAZOLE has shown promising properties in the development of new materials for use in electronic devices, such as light-emitting diodes and solar cells. Overall, this chemical compound has a wide range of potential industrial and scientific applications.

InChI:InChI=1/C7H6N2S/c1-5-3-2-4-6-7(5)9-10-8-6/h2-4H,1H3

Upstream product

• 601-87-6 3-methyl-2-nitroaniline 
• 570-24-1 2-Methyl-6-nitroaniline 
• 2687-25-4 3-methyl-1,2-benzenediamine 

Downstream Products

• 16405-99-5 4-(bromomethyl)benzo[c][1,2,5]thiadiazole 
• 151869-78-2 4-dibromomethyl-2,1,3-benzothiadiazole 
• 2687-25-4 3-methyl-1,2-benzenediamine 
• 151869-76-0 6-(2,3-diaminophenyl)-5-methyl-2,3,4,5-tetrahydro-pyridazin-3-one 
• 1331742-86-9 7-bromobenzo[c][1,2,5]thiadiazole-4-carbonitrile 
• 1071224-34-4 7-bromobenzo[c][1,2,5]thiadiazole-4-carboxaldehyde 
• 1239277-96-3 4-bromo-7-dibromomethyl-2,1,3-benzothiadiazole 
• 92061-28-4 2-(7-nitro-benzo[1,2,5]thiadiazol-4-yl)-N-phenyl-acetamide 
• 92164-36-8 2-benzo[1,2,5]thiadiazol-4-yl-N-phenyl-acetamide 

Relevant articles and documents

An original way for synthesis of new nitro-benzothiadiazole derivatives

The C-alkylation reaction of 4-chloromethyl-7-nitro-2,1,3-benzothiadiazole with 2-nitropropane anion which is shown to proceed by an SRN1 mechanism is an original way for the synthesis of new 2,1,3-benzothiadiazoles.

Synthesis and electronic and photophysical properties of [2.2]- and [3.3]paracyclophane-based donor-donor′-acceptor triads

Three types of the donor(D)-donor′(D′)-acceptor(A) triads 1-6 with different D-A combinations, carbazole (Cz, D)-[n.n]PCP(D′)-1,8-naphthalimide (NI, A) (1-3), 10H-phenothiazine (PTZ, D)-[n.n]PCP(D′)-NI(A) (4, 5), and 10-methyl-10H-phenothiazine (Me-PTZ, D)-[2.2]PCP-2,1,3-benzothiadiazole (BTD, A) 6, were synthesized for the elucidation of their photophysical properties. The absorption spectra and electrochemical properties indicated that the chromophores (D, D′, and A) do not interact with each other in the ground state. Cz-(CH2)3-[2.2]PCP-(CH2)3-NI 1 and Cz-(CH2)3-[3.3]PCP-(CH2)3-NI 2 show an exciplex emission between the PCP and NI moieties in cyclohexane and the intensity of the band is much higher in 2 than in 1, whereas Cz-(CH2)2-[2.2]PCP-(CH2)2-NI 3 does not show any exciplex emission in cyclohexane. These results indicated that the combination of [3.3]PCP and a trimethylene chain is preferable for the exciplex formation. PTZ-(CH2)3-[2.2]PCP-(CH2)3-NI 4 shows a broad band at 519 nm in cyclohexane, which is associated with the formation of the exterplex band among the NI, [2.2]PCP, and PTZ moieties, while PTZ-(CH2)3-[3.3]PCP-(CH2)3-NI 5 does not show the band. Me-PTZ-(CH2)2-[2.2]PCP-(CH2)2-BTD 6 shows a broad fluorescence band due to both the BTD and PTZ moieties in cyclohexane. In CH3CN, the fluorescence spectra of 1-6 suggest the presence of a photoinduced charge separation process. The study of the photoinduced charge separation process will be soon reported elsewhere.

Organic light-emitting material containing benzo[c][1,2,5]thiadiazole derivative receptor structural unit and application

The invention provides an organic light-emitting material based on a donor-receptor structure of a benzo[c][1,2,5]thiadiazole-4-aldehyde group receptor and a 2-(benzo[c][1,2,5]thiadiazole-4-methylene)malononitrile receptor and application thereof. The organic light-emitting material is a receptor-donor separation system, wherein the receptor is benzo[c][1,2,5]thiadiazole-4-aldehyde or 2-(benzo[c][1,2,5]thiadiazole-4-methylene) malononitrile, and a donor is carbazole and a derivative or benzoxazine and the like. The lowest unoccupied molecular orbital (LUMO) in the material is located in the receptor, and the highest occupied molecular orbital (HOMO) in the material is located in the donor, so that the molecular orbital energy level of the luminescent material can be effectively regulated and controlled through electrical regulation of the receptor structure and the donor. By regulating and controlling the structure of the light-emitting material or the electron donating capability of the donor, the light-emitting color of material molecules can be conveniently regulated. The organic light-emitting material has the characteristic that the light-emitting color is easy to adjust, andcan be used as a light-emitting material for preparing an OLED device.

Photoelectric conversion material and photoelectric conversion element

A photoelectric conversion material includes a compound represented by Formula (1), wherein, X is selected from the group consisting of a hydrogen atom, a deuterium atom, a halogen atom, an alkyl group, and a cyano group; and Y represents a monovalent substituent represented by Formula (2), wherein, R1 to R10 each independently represent a hydrogen atom, a deuterium atom, a halogen atom, an alkylgroup, or an aryl group; or two or more of R1 to R10 bond to each other to form one or more rings, and the remainders each independently represent a hydrogen atom, a deuterium atom, a halogen atom, analkyl group, or an aryl group; * denotes the binding site of Y in Formula (1); and Ar1 is selected from the group consisting of structures represented by Formulae (3), wherein ** denotes a binding site of Ar1 with N in Formula (2).