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4-[3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZOIC ACID - CAS 220462-27-1

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Category
Main Product
Product Name
4-[3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZOIC ACID
Catalog Number
220462-27-1
Synonyms
4-[3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZOIC ACID
CAS Number
220462-27-1
Molecular Weight
256.18
Molecular Formula
C11H7F3N2O2
COA
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MSDS
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Canonical SMILES
C1=CC(=CC=C1C(=O)O)N2C=CC(=N2)C(F)(F)F
InChI
InChI=1S/C11H7F3N2O2/c12-11(13,14)9-5-6-16(15-9)8-3-1-7(2-4-8)10(17)18/h1-6H,(H,17,18)
InChIKey
ZQBFVQMSDDVBSD-UHFFFAOYSA-N
Structure
CAS 220462-27-1 4-[3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZOIC ACID
Specification
Purity
95%
Boiling Point
360.8ºC at 760mmHg
Melting Point
189ºC
Density
1.44g/cm3
Reference Reading
1.Synthesis and characterization of new copper(I) complexes containing 4-(diphenylphosphane)benzoic acid and "scorpionate" ligands with "in vitro" superoxide scavenging activity.
Santini C1, Pellei M, Lobbia GG, Fedeli D, Falcioni G. J Inorg Biochem. 2003 Apr 1;94(4):348-54.
New copper(I) complexes have been synthesised from the reaction of CuCl with 4-(diphenylphosphane)benzoic acid and lithium tris(1H-pyrazol-1-yl)methanesulfonate, Li(SO(3))C(pz)(3), sodium hydrotris(3-trifluoromethyl-1H-pyrazol-1-yl)borate, NaHB[3-(CF(3))pz](3), potassium dihydrobis(1H-1,2,4-triazol-1-yl)borate, KH(2)B(tz)(2), hydrotris(1H-1,2,4-triazol-1-yl)borate, KHB(tz)(3), sodium hydrotris(1H-pyrazol-1-yl)borate, NaHB(pz)(3), potassium hydrotris(3,5-dimethyl-1H-pyrazol-1-yl)borate KHB(3,5-Me(2)Pz)(3) or potassium hydrotris(4-bromo-1H-pyrazol-1-yl)borate KHB(4-Brpz)(3). The complexes obtained have been characterized by elemental analyses and FT-IR in the solid state, and by NMR (1H and 31P[(1)H]) spectroscopy and conductivity measurements in solution. The solution data are consistent with partial dissociation of the sterically hindered complexes by way of breaking of Cu-P and Cu-N bonds. Electrospray mass spectrometry has been used to investigate the relative properties of the 4-(diphenylphosphane)benzoic acid and of the "scorpionate" ligands towards copper(I) ions.
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