617699-97-5

Basic information

• Product Name: 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-iodo-1H-pyrazole
• CAS NO: 617699-97-5
• Molecular Formula: C₁₀H₄Cl₂F₃IN₂
• Molecular Weight: 406.9578
• Mol File: 617699-97-5.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 358.86°C at 760 mmHg
• Flash Point: 170.832°C
• Density: 2.01g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.636
• CAS DataBase Reference: 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-iodo-1H-pyrazole(CAS DataBase Reference)
• NIST Chemistry Reference: 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-iodo-1H-pyrazole(617699-97-5)
• EPA Substance Registry System: 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-iodo-1H-pyrazole(617699-97-5)

Safety Data

• Hazardous Substances Data: 617699-97-5(Hazardous Substances Data)

Upstream product

• 3469-69-0 4-iodopyrazole 

Downstream Products

• 617699-98-6 1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoroacetylpyrazole 
• 617700-08-0 3-{4-[1-(2,6-dichloro-3-iodo-4-trifluoromethylphenyl)-5-iodopyrazolo]}-3-(trifluoromethyl)diaziridine 
• 617700-09-1 3-{4-[1-(2,6-dichloro-3-iodo-4-trifluoromethylphenyl)-5-iodopyrazolo]}-3-(trifluoromethyl)diazirine 
• 617700-03-5 1-(2,6-dichloro-3-iodo-4-trifluoromethylphenyl)-4-[1-hydroxy-(2,2,2-trifluoroethyl)]-5-iodopyrazole 
• 617700-05-7 1-(2,6-dichloro-3-iodo-4-trifluoromethylphenyl)-5-iodo-4-(trifluoroacetyl)pyrazole 
• 617700-02-4 1-(2,6-dichloro-4-trifluoromethylphenyl)-4-[1-hydroxy-(2,2,2-trifluoroethyl)]pyrazole 

Relevant articles and documents

Synthesis of a tritium-labeled, fipronil-based, highly potent, photoaffinity probe for the GABA receptor

3-{4-[1-(2,6-Dichloro-4-trifluoromethylphenyl)pyrazolo]} -3-(trifluoromethyl)diazirine is a fipronil-based (i.e. fiprole), high-affinity probe for the GABA receptor. For synthesis of the tritium-labeled version of this trifluoromethyldiazirinylfiprole ([3H]TDF) the required intermediate, 3-{4-[1-(2,6-dichloro-3-iodo-4-trifluoromethylphenyl)-5-iodopyrazolo]} -3-(trifluoromethyl)diazirine, was prepared in 10 steps from pyrazole and 3,5-dichloro-4-fluorobenzotrifluoride. One of the key transformations was lithiation and subsequent iodination of the 4-(2,2,2-trifluoro-1-hydroxyethyl)pyrazole intermediate. The last step involved reduction of the diiodofiprole with tritium, Pd/C, and triethylamine in ethyl acetate and afforded [3H]TDF with a specific activity of 15 Ci/mmol and 99% radiopurity.