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602-94-8,MFCD00002406
Catalog No.:AA00IAL3

602-94-8 | pentafluorobenzoic acid

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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00IAL3
Chemical Name:
pentafluorobenzoic acid
CAS Number:
602-94-8
Molecular Formula:
C7HF5O2
Molecular Weight:
212.0737
MDL Number:
MFCD00002406
SMILES:
Fc1c(F)c(C(=O)O)c(c(c1F)F)F
NSC Number:
88337
Properties
Properties
 
BP:
220°C at 760 mmHg  
Form:
Solid  
MP:
100-102 °C(lit.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
220  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2  

Literature

Title: Method for estimating S(N)1 rate constants: solvolytic reactivity of benzoates.

Journal: The Journal of organic chemistry 20121019

Title: Neuroactive steroids with perfluorobenzoyl group.

Journal: Steroids 20121001

Title: Organocatalyzed enantioselective formal [4 + 2] cycloaddition of 2,3-disubstituted indole and methyl vinyl ketone.

Journal: Organic letters 20120615

Title: Supramolecular assemblies of dimolybdenum transoids built by Mo2-enhanced perfluorophenyl-perfluorophenyl synthons.

Journal: Dalton transactions (Cambridge, England : 2003) 20111228

Title: Tandem synthesis of alternating polyesters from renewable resources.

Journal: Nature communications 20111213

Title: catena-Poly[[tetra-kis-(μ-penta-fluoro-benzoato-κO:O')dimolybdenum(II)]-μ-4,4'-bipyridine-κN:N'].

Journal: Acta crystallographica. Section E, Structure reports online 20110901

Title: Tetra-kis(μ-penta-fluoro-benzoato-κO:O')bis-[(tetra-hydro-furan-κO)molybdenum(II)].

Journal: Acta crystallographica. Section E, Structure reports online 20110901

Title: Tuning of the ionization potential of paddlewheel diruthenium(II, II) complexes with fluorine atoms on the benzoate ligands.

Journal: Dalton transactions (Cambridge, England : 2003) 20110121

Title: Nanostructured AgBr loaded TiO2: An efficient sunlight active photocatalyst for degradation of Reactive Red 120.

Journal: Chemistry Central journal 20110101

Title: 5-(2,3,4,5,6-Penta-fluoro-phen-yl)-1,3,4-thia-diazol-2-amine.

Journal: Acta crystallographica. Section E, Structure reports online 20101101

Title: Diaqua-(1,4,8,11-tetra-aza-cyclo-tetra-decane-κN,N,N,N)copper(II) bis-(2,3,4,5,6-penta-fluoro-benzoate) dihydrate.

Journal: Acta crystallographica. Section E, Structure reports online 20100801

Title: Sensitive and selective method for the determination of bisphenol-A and triclosan in serum and urine as pentafluorobenzoate-derivatives using GC-ECNI/MS.

Journal: Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20091201

Title: 4,4'-Bipyridine-2,3,4,5,6-penta-fluoro-benzoic acid (1/2).

Journal: Acta crystallographica. Section E, Structure reports online 20091001

Title: 1,10-Phenanthrolinium 2,3,4,5,6-penta-fluoro-benzoate-2,3,4,5,6-penta-fluoro-benzoic acid (1/2).

Journal: Acta crystallographica. Section E, Structure reports online 20091001

Title: Photovalorisation of pentafluorobenzoic acid with platinum doped TiO2.

Journal: Journal of hazardous materials 20090815

Title: Matrix diffusion coefficients in volcanic rocks at the Nevada test site: influence of matrix porosity, matrix permeability, and fracture coating minerals.

Journal: Journal of contaminant hydrology 20070815

Title: Variable-temperature powder X-ray diffraction of aromatic carboxylic acid and carboxamide cocrystals.

Journal: Chemistry, an Asian journal 20070402

Title: Enthalpy (DeltaH) and entropy (DeltaS) for pi-stacking interactions in near-sandwich configurations: relative importance of electrostatic, dispersive, and charge-transfer effects.

Journal: The Journal of organic chemistry 20070330

Title: Determination of tobacco specific hemoglobin adducts in smoking mothers and new born babies by mass spectrometry.

Journal: Biomarker insights 20070101

Title: The 2:1 cocrystal of benzamide and pentafluorobenzoic acid.

Journal: Acta crystallographica. Section C, Crystal structure communications 20060801

Title: Adsorption at liquid interfaces: the generalized Langmuir isotherm and interfacial structure.

Journal: The journal of physical chemistry. B 20060615

Title: Copolymerization of cyclohexene oxide and carbon dioxide using (salen)Co(III) complexes: synthesis and characterization of syndiotactic poly(cyclohexene carbonate).

Journal: Dalton transactions (Cambridge, England : 2003) 20060107

Title: Biodegradation during contaminant transport in porous media: 7. Impact of multiple-degrader community dynamics.

Journal: Environmental toxicology and chemistry 20051101

Title: Cobalt catalysts for the alternating copolymerization of propylene oxide and carbon dioxide: combining high activity and selectivity.

Journal: Journal of the American Chemical Society 20050810

Title: Determination of bromide in whole blood and urine from humans using gas chromatography-mass spectrometry.

Journal: Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20050325

Title: Gas chromatography-mass spectrometry analysis of alkylphenols in cod (Gadus morhua) tissues as pentafluorobenzoate derivatives.

Journal: Journal of chromatography. A 20050114

Title: Fracture-controlled nitrate and atrazine transport in four Iowa till units.

Journal: Journal of environmental quality 20050101

Title: A passive-discrete water sampler for monitoring seepage.

Journal: Ground water 20050101

Title: Simulating conservative tracers in fractured till under realistic timescales.

Journal: Ground water 20050101

Title: Gas chromatography-mass spectrometry analysis of alkylphenols in produced water from offshore oil installations as pentafluorobenzoate derivatives.

Journal: Journal of chromatography. A 20041203

Title: Dual-domain solute transfer and transport processes: evaluation in batch and transport experiments.

Journal: Journal of contaminant hydrology 20041201

Title: Determination of pentafluorobenzyl derivatives of phosphonic and phosphonothioic acids by gas chromatography-mass spectrometry.

Journal: Journal of chromatography. A 20040723

Title: Impact of preferential flow at varying irrigation rates by quantifying mass fluxes.

Journal: Journal of environmental quality 20040101

Title: Determination of alpha-aminoadipic acid in brain, peripheral tissues, and body fluids using GC/MS with negative chemical ionization.

Journal: Brain research. Molecular brain research 20031021

Title: Fluorinated matrix approach for the characterization of hydrophobic perfluoropolyethers by matrix-assisted laser desorption/ionization time-of-flight MS.

Journal: Analytical chemistry 20030315

Title: Testing and parameterizing a conceptual solute transport model in saturated fractured tuff using sorbing and nonsorbing tracers in cross-hole tracer tests.

Journal: Journal of contaminant hydrology 20030101

Title: Application of (1)H- and (19)F-NMR spectroscopy in the investigation of the urinary and biliary excretion of 3,5-, 2,4-ditrifluoromethylbenzoic and pentafluorobenzoic acids in rat.

Journal: Xenobiotica; the fate of foreign compounds in biological systems 20020701

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