Home Other Building Blocks Iodopentafluorobenzene

Iodopentafluorobenzene

CAS No.:
827-15-6
Catalog Number:
AG003D9N
Molecular Formula:
C6F5I
Molecular Weight:
293.9607
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$25
- +
5g
95%
In Stock USA
United States
$75
- +
25g
95%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG003D9N
Chemical Name:
Iodopentafluorobenzene
CAS Number:
827-15-6
Molecular Formula:
C6F5I
Molecular Weight:
293.9607
MDL Number:
MFCD00001032
IUPAC Name:
1,2,3,4,5-pentafluoro-6-iodobenzene
InChI:
InChI=1S/C6F5I/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChI Key:
OPYHNLNYCRZOGY-UHFFFAOYSA-N
SMILES:
Fc1c(F)c(F)c(c(c1F)I)F
EC Number:
212-565-2
NSC Number:
88306
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.896g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.962g/mol
Monoisotopic Mass:
293.896g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
UV photodissociation dynamics of iodobenzene: effects of fluorination. The Journal of chemical physics 20120328
Reduced fragmentation in liquid injection field desorption/ionization Fourier transform ion cyclotron resonance mass spectrometry by use of helium for the thermalization of molecular ions. Rapid communications in mass spectrometry : RCM 20120215
rα Structures of partially oriented pentafluorobenzenes C6F5X (X = H, Cl, I) as determined from 19F NMR spectra with 13C satellites. Magnetic resonance in chemistry : MRC 20111101
Carbon-silicon and carbon-carbon bond formation by elimination reactions at metal N-heterocyclic carbene complexes. Journal of the American Chemical Society 20110803
1-[(2,3,4,5,6-Penta-fluoro-phen-yl)ethyn-yl]ferrocene. Acta crystallographica. Section E, Structure reports online 20100801
Halogen bonding between an isoindoline nitroxide and 1,4-diiodotetrafluorobenzene: new tools and tectons for self-assembling organic spin systems. Chemistry (Weinheim an der Bergstrasse, Germany) 20090101
Metal fluorides form strong hydrogen bonds and halogen bonds: measuring interaction enthalpies and entropies in solution. Journal of the American Chemical Society 20080625
2-(2,3,5,6-Tetra-fluoro-4-iodo-anilino)-ethanol. Acta crystallographica. Section E, Structure reports online 20080101
Synthesis, molecular structures, and chemistry of some new palladium(II) and platinum(II) complexes with pentafluorophenyl ligands. Dalton transactions (Cambridge, England : 2003) 20040907
Nonadiabatic alignment of asymmetric top molecules: rotational revivals. The Journal of chemical physics 20040708
Halogen bonding: a new interaction for liquid crystal formation. Journal of the American Chemical Society 20040114
Reactions of halofluorocarbons with group 6 complexes M(C(5)H(5))(2)L (M = Mo, W; L = C(2)H(4), CO). Fluoroalkylation at molybdenum and tungsten, and at cyclopentadienyl or ethylene ligands. Journal of the American Chemical Society 20010411
Properties