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

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

Uses

Used in Pharmaceutical Industry:
1-(2',4',6'-Trichlorophenyl)-3-(2'-chloro-5'-nitroanilino)-5-pyrazolone is used as a potential pharmaceutical compound for its possible biological activity. The exact application reason is not specified due to limited information, but its structure suggests it could be involved in drug development.
Used in Agrochemical Industry:
1-(2',4',6'-Trichlorophenyl)-3-(2'-chloro-5'-nitroanilino)-5-pyrazolone is used as a potential agrochemical compound for its possible biological activity. The exact application reason is not specified due to limited information, but its structure suggests it could be involved in the development of pesticides or other agricultural chemicals.
Note: Due to the lack of detailed information on the exact properties, toxicity, and applications of 1-(2',4',6'-Trichlorophenyl)-3-(2'-chloro-5'-nitroanilino)-5-pyrazolone, the above uses are speculative and based on the compound's structural features. Further research and testing would be required to confirm its suitability for these applications.

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

• 111888-39-2 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 
• 111888-41-6 3-(2-chloro-5-nitroanilino)-3-acetyloximino-2',4',6'-trichloropropionanilide 
• 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.

Method for preparing 1-aryl-3-arylamino-2-pyrazolin-5-ones from N-aryl-3-arylamino-3-oximinopropionamides

A method for preparing a 1-aryl-3-arylamino-2-pyrazolin-5-one comprises reacting an N-aryl-3-arylamino-3-oximinopropionamide with an acylating agent in an inert solvent, then heating in contact with a strong acid catalyst and a dehydrating agent in an inert solvent, and then heating in contact with an acid in water and a lower alkanol.