30707-68-7

Basic information

• Product Name: 1-(2',4',6'-Trichlorophenyl)-3-(2'-chloro-5'-nitroanilino)-5-pyrazolone
• Synonyms: 1-(2',4',6'-trichlorophenyl)-3-(2'-chloro-5'-nitroanilino)-5-pyrazolone;5-[(2-chloro-5-nitrophenyl)amino]-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3h-pyrazol-3-one;5-[(2-chloro-5-nitrophenyl)amino]-2,4-dihydro-2-(2,4,6-trichlorophenyl)-3H-pyrazol-3-one;5-[(2-CHLORO-5-NITROPHENYL)AMINO]-2,4-DIHYDRO-2-(2,4,6-TRICHLOOPHENYL)-3H-PYRAZOL-3-ONE;3-((2-Chloro-5-nitrophenyl)aMino)-1-(2,4,6-trichlorophenyl)-1H-pyrazol-5(4H)-one
• CAS NO: 30707-68-7
• Molecular Formula: C₁₅H₈Cl₄N₄O₃
• Molecular Weight: 434.06
• EINECS: 250-303-9
• Mol File: 30707-68-7.mol
• Article Data: 2

Chemical Properties

• Melting Point: 274-278 °C(Solv: methanol (67-56-1))
• Boiling Point: 538.7 °C at 760 mmHg
• Flash Point: 279.6 °C
• Appearance: /
• Density: 1.74 g/cm³
• Vapor Pressure: 1.13E-11mmHg at 25°C
• Refractive Index: 1.727
• Storage Temp.: 2-8°C
• PKA: 1.63±0.50(Predicted)
• CAS DataBase Reference: 1-(2',4',6'-Trichlorophenyl)-3-(2'-chloro-5'-nitroanilino)-5-pyrazolone(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(2',4',6'-Trichlorophenyl)-3-(2'-chloro-5'-nitroanilino)-5-pyrazolone(30707-68-7)
• EPA Substance Registry System: 1-(2',4',6'-Trichlorophenyl)-3-(2'-chloro-5'-nitroanilino)-5-pyrazolone(30707-68-7)

Safety Data

• Hazardous Substances Data: 30707-68-7(Hazardous Substances Data)

Usage

General Description

1-(2',4',6'-Trichlorophenyl)-3-(2'-chloro-5'-nitroanilino)-5-pyrazolone is a complex, synthetic, organic compound. It features various functional groups including the trichlorophenyl group, chloronitroaniline group, and the pyrazolone group. Being a derivative of pyrazolone, it's likely to have some biological activity, potentially acting as pharmaceuticals or agrochemicals. The chloro and nitro groups suggest it may possess strong reactivity. Its exact properties and applications may depend largely on the context of its specific synthesis and usage. However, detailed information regarding its exact properties, toxicity, and applications are not readily available, suggesting it's not a widely used or studied compound.

InChI:InChI=1/C15H8Cl4N4O3/c16-7-3-10(18)15(11(19)4-7)22-14(24)6-13(21-22)20-12-5-8(23(25)26)1-2-9(12)17/h1-5H,6H2,(H,20,21)

Upstream product

• 111888-41-6 3-(2-chloro-5-nitroanilino)-3-acetyloximino-2',4',6'-trichloropropionanilide 
• 111888-39-2 3-(2-chloro-5-nitroanilino)-3-ethoxycarbonyloximino-2',4',6'-trichloropropionanilide 
• 111888-37-0 3-ethoxy-3-imino-2',4',6'-trichloropropionanilide hydrochloride 
• 111888-38-1 3--3-methoxy-2',4',6'-trichloropropionanilide 
• 24522-44-9 2-cyano-2',4',6'-trichloroacetanilide 
• 6283-25-6 H₂NC₆H₃(Cl)NO₂ 
• 111888-40-5 4-(2-chloro-5-nitrophenyl)-3-<2-oxo-2-(2,4,6-trichloroanilino)ethyl>-1,2,4-oxadiazolin-5-one 
• 85573-32-6 3-(2-chloro-5-nitroanilino)-3-oximino-2',4',6'-trichloropropionanilide 

Relevant articles and documents

Synthesis of 3-(2-Chloro-5-nitroanilino and 4-nitroanilino)-1-(2,4,6-trichlorophenyl)-2-pyrazolin-5-ones

A new synthesis of 3-anilino-1-aryl-2-pyrazolin-5-ones in which the pyrazolinone ring is built via N-N bond formation is described. 2-Cyano-2',4',6'-trichloroacetanilide 1 was converted to imino ether hydrochloride 2 which was reacted with anilines in methanol to produce N-arylimino ether 3a,b.Reaction of these N-arylimino ethers with hydroxylamine gave N-arylamidoximes 4a,b.An 1,2,4-oxadiazol-5-one 6a was prepared from the N-arylamidoxime 4a and subjected to base-induced rearrangement.The desired 3-anilinopyrazolinone 7a was obtained only in a very low yield.However, O-acetylation of the N-arylamidoximes 4a,b followed by acid-catalyzed ring closure and rearrangement in the presence of excess acetic anhydride gave a mixture of N-acetylanilinopyrazolinones (e.g. 10) and 4-acetyloxy-3-N-acetylanilinopyrazoles (e.g. 12) which upon acid hydrolysis afforded the 3-anilinopyrazolinones 7a,b in better yield.