1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole

Base Information

• Chemical Name: 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole
• CAS No.: 134947-25-4
• Molecular Formula: C₁₂H₆F₆N₂O
• Molecular Weight: 308.183
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID40371064
• Wikidata: Q82158295
• Mol file: 134947-25-4.mol

Synonyms:1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole;134947-25-4;[3,5-bis(trifluoromethyl)pyrazol-1-yl]-phenylmethanone;MFCD00153644;(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)(phenyl)methanone;[3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl](phenyl)methanone;Methanone,[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]phenyl-;DTXSID40371064;AKOS007930683;FT-0607381;1-benzoyl-3,5-bis(trifluoromethyl)-1H-pyrazole;A806858;[3,5-bis(trifluoromethyl)pyrazol-1-yl]-phenyl-methanone

Chemical Property of 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole

Chemical Property:

• Vapor Pressure: 0.000808mmHg at 25°C
• Melting Point: 83-84°C
• Boiling Point: 305.7°Cat760mmHg
• PKA: -7.55±0.12(Predicted)
• Flash Point: 138.7°C
• PSA: 34.89000
• Density: 1.46g/cm³
• LogP: 3.60920
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 308.03843179
• Heavy Atom Count: 21
• Complexity: 388

Purity/Quality:

98%min ^*data from raw suppliers

1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)N2C(=CC(=N2)C(F)(F)F)C(F)(F)F

Technology Process of 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole

There total 1 articles about 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole 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: 40.0%

1,1,1,5,5,5-hexafluoroacetylacetone (1522-22-1) + benzoic acid hydrazide (613-94-5) → N-benzoyl-3,5-bis(trifluoromethyl)pyrazole (134947-25-4)

Guidance literature:

In ethanol; for 5h; Heating;

DOI:10.1016/S0022-1139(00)80298-5

upstream raw materials:

1,1,1,5,5,5-hexafluoroacetylacetone

benzoic acid hydrazide

Refernces