4548-56-5

Basic information

• Product Name: 4-CHLORO-2-NITRO-1-(PHENYLTHIO)BENZENE
• Synonyms: LABOTEST-BB LT01147670;4-CHLORO-2-NITRODIPHENYL SULFIDE;4-CHLORO-2-NITRO-1-(PHENYLTHIO)BENZENE
• CAS NO: 4548-56-5
• Molecular Formula: C₁₂H₈ClNO₂S
• Molecular Weight: 265.72
• Mol File: 4548-56-5.mol
• Article Data: 14

Chemical Properties

• Melting Point: 82 °C
• Boiling Point: 373°Cat760mmHg
• Flash Point: 179.4°C
• Appearance: /
• Density: 1.41g/cm³
• Vapor Pressure: 1.99E-05mmHg at 25°C
• Refractive Index: 1.674
• CAS DataBase Reference: 4-CHLORO-2-NITRO-1-(PHENYLTHIO)BENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-CHLORO-2-NITRO-1-(PHENYLTHIO)BENZENE(4548-56-5)
• EPA Substance Registry System: 4-CHLORO-2-NITRO-1-(PHENYLTHIO)BENZENE(4548-56-5)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 4548-56-5(Hazardous Substances Data)

Usage

Description

4-CHLORO-2-NITRO-1-(PHENYLTHIO)BENZENE, a chemical compound with the molecular formula C12H8ClNO3S, is a nitrophenylthio derivative characterized by the presence of a chlorine atom and a nitro group. This yellow crystalline solid, with a melting point of 116-118°C, is a valuable intermediate in organic synthesis and is used in the production of pharmaceuticals, agrochemicals, dyes, pigments, and other fine chemicals. Due to its potential toxic and irritant properties, it should be handled with care.

Uses

Used in Pharmaceutical Industry:
4-CHLORO-2-NITRO-1-(PHENYLTHIO)BENZENE is used as a key intermediate in the synthesis of various pharmaceuticals, contributing to the development of new drugs and therapeutic agents.
Used in Agrochemical Industry:
In the agrochemical sector, 4-CHLORO-2-NITRO-1-(PHENYLTHIO)BENZENE serves as an essential component in the production of agrochemicals, aiding in the creation of effective pest control and crop protection solutions.
Used in Dye and Pigment Production:
4-CHLORO-2-NITRO-1-(PHENYLTHIO)BENZENE is utilized as a starting material in the synthesis of dyes and pigments, playing a crucial role in the coloration of various products and materials.
Used in Organic Synthesis:
As a versatile intermediate in organic synthesis, 4-CHLORO-2-NITRO-1-(PHENYLTHIO)BENZENE is employed in the preparation of a wide range of fine chemicals, further expanding its applications across different industries.

InChI:InChI=1/C12H8ClNO2S/c13-9-6-7-12(11(8-9)14(15)16)17-10-4-2-1-3-5-10/h1-8H

Upstream product

• 787633-79-8 (R,S)-1-(4-chloro-2-nitrophenyl)ethanol 
• 882-33-7 diphenyldisulfane 
• 6280-88-2 4-chloro-2-nitro-benzoic acid 
• 108-98-5 thiophenol 
• 345-18-6 2-fluoro-5-chloronitrobenzene 
• 930-69-8 sodium thiophenolate 
• 89-61-2 2,5-dichloronitrobenzene 
• 36776-27-9 4-chloro-2-nitro-thiophenol 
• 108-90-7 chlorobenzene 
• 610-40-2 3,4-dinitro-chlorobenzene 
• 64-17-5 ethanol 

Downstream Products

• 101096-34-8 N-(3-chloropropyl)-5-chloro-2-phenylthiophenylamine 
• 86030-08-2 4-chloro-2-nitrodiphenyl sulphone 
• 4235-20-5 5-chloro-2-phenylsulfanyl-aniline 
• 86030-09-3 4-chloro-2-(hydroxyamino)phenyl phenyl sulphide 
• 1451261-61-2 N-[5-chloro-2-(phenylsulfinyl)phenyl]-1-benzofuran-2-sulfonamide 
• 1451261-60-1 N-[5-chloro-2-(phenylsulfonyl)phenyl]-1-benzofuran-2-sulfonamide 
• 1451261-59-8 N-[5-chloro-2-(phenylsulfanyl)phenyl]-1-benzofuran-2-sulfonamide 
• 31041-00-6 2-benzenesulfonyl-5-chloro-aniline 
• 4601-79-0 4-chloro-2-(hydroxyamino)phenyl phenyl sulphone 
• 86030-10-6 5,5'-dichloro-2,2'-bis(thiophenoxy)azoxybenzene 
• 31520-27-1 5,5'-dichloro-2,2'-bis(thiophenoxy)azobenzene 

Relevant articles and documents

BTB-1 A small molecule inhibitor of the mitotic motor protein kif18A

Turning the motor off: A malachite green based assay leads to the identification of BTB-1 (see picture), the first small-molecule inhibitor of the mitotic motor protein Kif18A. BTB-1 reversibly inhibits the ATPase activity of the recombinant motor domain

Aerobic copper-catalyzed decarboxylative thiolation

Copper-catalyzed decarboxylative thiolation using molecular oxygen as the sole oxidant was developed. A variety of aromatic carboxylic acids including 2-nitrobenzoic acids, pentafluorobenzoic acid and several heteroaromatic carboxylic acids undergo efficient thiolation to furnish the aryl sulfides in moderate to excellent yields.

Modulation of cAMP-specific PDE without emetogenic activity: New sulfide-like PDE7 inhibitors

A forward chemical genetic approach was followed to discover new targets and lead compounds for Parkinson's disease (PD) treatment. By analysis of the cell protection produced by some small molecules, a diphenyl sulfide compound was revealed to be a new phosphodiesterase 7 (PDE7) inhibitor and identified as a new hit. This result allows us to confirm the utility of PDE7 inhibitors as a potential pharmacological treatment of PD. On the basis of these data, a diverse family of diphenyl sulfides has been developed and pharmacologically evaluated in the present work. Moreover, to gain insight into the safety of PDE7 inhibitors for human chronic treatment, we evaluated the new compounds in a surrogate emesis model, showing nonemetic effects.