1-(4-Nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

Base Information

• Chemical Name: 1-(4-Nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
• CAS No.: 142818-03-9
• Molecular Formula: C11H6F3N3O4
• Molecular Weight: 301.182
• Hs Code.: 2933199090
• European Community (EC) Number: 624-511-9
• DSSTox Substance ID: DTXSID20350953
• Wikidata: Q82127019
• Mol file: 142818-03-9.mol

Synonyms:142818-03-9;1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid;1-(4-Nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid;Maybridge1_003970;SCHEMBL2077594;HMS552M10;DTXSID20350953;1-(4-NITROPHENYL)-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-;MFCD00173867;AKOS009158218;PS-10385;CS-0204596;FT-0605765;A807967;J-007699;1-(4-nitrophenyl)-(5-trifluoromethyl)pyrazole-4-carboxylic acid;1-(4-Nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid, 97%

Chemical Property of 1-(4-Nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

Chemical Property:

• Melting Point: 202-204oC
• Boiling Point: 452.6±45.0 °C(Predicted)
• PKA: 2.61±0.36(Predicted)
• PSA: 100.94000
• Density: 1.65±0.1 g/cm3(Predicted)
• LogP: 3.02070
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 301.03104017
• Heavy Atom Count: 21
• Complexity: 418

Purity/Quality:

99%, ^*data from raw suppliers

1-(4-Nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N2C(=C(C=N2)C(=O)O)C(F)(F)F)[N+](=O)[O-]

Technology Process of 1-(4-Nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

There total 6 articles about 1-(4-Nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid 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: 100.0%

4-trifluoroacetyl-5-trifluoromethyl-1-(p-nitrophenyl)pyrazole (142809-85-6) → 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid (142818-03-9)

Guidance literature:

With potassium hydroxide; In ethanol; for 4h; Ambient temperature;

Reference yield:

ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate (175137-35-6) → 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid (142818-03-9)

Guidance literature:

With water; potassium hydroxide; In ethanol; at 20 ℃; for 8h; Inert atmosphere;

DOI:10.1021/acsmedchemlett.0c00571

Reference yield:

ethyl 2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate (571-55-1) → 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid (142818-03-9)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / 6 h / 60 °C / Inert atmosphere

2: potassium hydroxide; water / ethanol / 8 h / 20 °C / Inert atmosphere

With water; potassium hydroxide; In ethanol;

DOI:10.1021/acsmedchemlett.0c00571

upstream raw materials:

4-trifluoroacetyl-5-trifluoromethyl-1-(p-nitrophenyl)pyrazole

4-nitrophenylhydrazone

ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

ethyl 2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 142818-03-9 1-(4-NITROPHENYL)-5-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLIC ACID

Send

Send

Metric Ton KG G Pound L ML

Send

Send