Home Other Building Blocks 2,3,4,5-tetrafluorobenzoic acid

2,3,4,5-tetrafluorobenzoic acid

CAS No.:
1201-31-6
Catalog Number:
AG000QB3
Molecular Formula:
C7H2F4O2
Molecular Weight:
194.0832
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$27
- +
25g
95%
In Stock USA
United States
$32
- +
100g
99%(HPLC)
In Stock USA
United States
$91
- +
500g
99%(HPLC)
In Stock USA
United States
$248
- +
Product Description
Catalog Number:
AG000QB3
Chemical Name:
2,3,4,5-tetrafluorobenzoic acid
CAS Number:
1201-31-6
Molecular Formula:
C7H2F4O2
Molecular Weight:
194.0832
MDL Number:
MFCD00009613
IUPAC Name:
2,3,4,5-tetrafluorobenzoic acid
InChI:
InChI=1S/C7H2F4O2/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H,(H,12,13)
InChI Key:
SFKRXQKJTIYUAG-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)c(c(c1F)F)F
NSC Number:
168728
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.999g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.085g/mol
Monoisotopic Mass:
193.999g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
The effects of oral treatment with transfluthrin on the urothelium of rats and its metabolite, tetrafluorobenzoic acid on urothelial cells in vitro. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20110601
Tuning of the ionization potential of paddlewheel diruthenium(II, II) complexes with fluorine atoms on the benzoate ligands. Dalton transactions (Cambridge, England : 2003) 20110121
Optimized synthesis of tetrafluoroterephthalic acid: a versatile linking ligand for the construction of new coordination polymers and metal-organic frameworks. Inorganic chemistry 20101018
2,3,4,5-Tetra-fluoro-benzoic acid-4,4'-bipyridine (2/1). Acta crystallographica. Section E, Structure reports online 20090801
Novel ofloxacin derivatives: synthesis, antimycobacterial and toxicological evaluation. Bioorganic & medicinal chemistry letters 20080201
Carbonic anhydrase inhibitors. Interaction of isozymes I, II, IV, V, and IX with carboxylates. Bioorganic & medicinal chemistry letters 20050201
Analysing fluorobenzoate tracers in groundwater samples using liquid chromatography-tandem mass spectrometry. A tool for leaching studies and hydrology. Journal of chromatography. A 20020524
Properties