5-(4-Nitroanilino)-2-(2,4,6-trichlorophenyl)-2-pyrazolin-3-one

Base Information

Chemical Name:5-(4-Nitroanilino)-2-(2,4,6-trichlorophenyl)-2-pyrazolin-3-one
CAS No.:34320-82-6
Deprecated CAS:779270-77-8
Molecular Formula:C15H9 Cl3 N4 O3
Molecular Weight:399.62
Hs Code.:
UNII:PIS1J5Z0NA
Mol file:34320-82-6.mol

Synonyms:cid_98800;SCHEMBL10431603;BDBM93676;5-(4-nitroanilino)-2-(2,4,6-trichlorophenyl)-2-pyrazolin-3-one;NS00089953;1H-Pyrazol-5-ol, 3-[(4-nitrophenyl)amino]-1-(2,4,6-trichlorophenyl)-

Suppliers and Price of 5-(4-Nitroanilino)-2-(2,4,6-trichlorophenyl)-2-pyrazolin-3-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
1-(2,4,6-TRICHLOROPHENYL)-3-(P-NITROANILINO)-2-PYRAZOLINE-5-ONE 95.00%
10G
$ 1153.81

Total 24 raw suppliers

Chemical Property of 5-(4-Nitroanilino)-2-(2,4,6-trichlorophenyl)-2-pyrazolin-3-one

Chemical Property:

Vapor Pressure:2.81E-12mmHg at 25°C
Melting Point:299-304 °C
Refractive Index:1.6200 (estimate)
Boiling Point:541.7°Cat760mmHg
PKA:1.83±0.50(Predicted)
Flash Point:281.4°C
PSA：90.52000
Density:1.66g/cm³
LogP:4.81410
XLogP3:4.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:397.974023
Heavy Atom Count:25
Complexity:551

Purity/Quality:

99% ^*data from raw suppliers

1-(2,4,6-TRICHLOROPHENYL)-3-(P-NITROANILINO)-2-PYRAZOLINE-5-ONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 24/25

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC=C1NC2=CC(=O)N(N2)C3=C(C=C(C=C3Cl)Cl)Cl)[N+](=O)[O-]

Technology Process of 5-(4-Nitroanilino)-2-(2,4,6-trichlorophenyl)-2-pyrazolin-3-one

There total 12 articles about 5-(4-Nitroanilino)-2-(2,4,6-trichlorophenyl)-2-pyrazolin-3-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 75.0%

: 84104-53-0
5-(4-Nitrophenoxymethyl)-3-<2-oxo-2-(2,4,6-trichloroanilino)ethyl>-1,2,4-oxadiazole

: 34320-82-6
3-(4-Nitroanilino)-1-(2,4,6-trichlorophenyl)-2-pyrazoline-5-one

Guidance literature:: With potassium carbonate; In ethanol; water; for 5h; Heating;
DOI:10.1021/jo00200a047

Reference yield:

: 24522-44-9
2-cyano-2',4',6'-trichloroacetanilide

: 34320-82-6
3-(4-Nitroanilino)-1-(2,4,6-trichlorophenyl)-2-pyrazoline-5-one

Guidance literature:: Multi-step reaction with 4 steps

1: 93 percent / hydroxylamine

2: 74 percent / NEt₃ / tetrahydrofuran / 1. 5 h/RT 2. 30 min reflux

3: 65 percent / xylene / 2 h / Heating; using Dean-Stark Water separator

4: 75 percent / K₂CO₃ / ethanol; H₂O / 5 h / Heating

With hydroxylamine; potassium carbonate; triethylamine; In tetrahydrofuran; ethanol; water; xylene;
DOI:10.1021/jo00200a047

Reference yield:

: 92694-94-5
O-(4-Nitrophenoxyacetyl)-3-oxo-3-(2,4,6-trichloroanilino)propionamidoxime

: 34320-82-6
3-(4-Nitroanilino)-1-(2,4,6-trichlorophenyl)-2-pyrazoline-5-one

Guidance literature:: Multi-step reaction with 2 steps

1: 65 percent / xylene / 2 h / Heating; using Dean-Stark Water separator

2: 75 percent / K₂CO₃ / ethanol; H₂O / 5 h / Heating

With potassium carbonate; In ethanol; water; xylene;
DOI:10.1021/jo00200a047