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Octafluorotoluene

CAS No.:
434-64-0
Catalog Number:
AG003D9M
Molecular Formula:
C7F8
Molecular Weight:
236.0621
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$19
- +
5g
95%
In Stock USA
United States
$45
- +
25g
95%
In Stock USA
United States
$194
- +
100g
95%
In Stock USA
United States
$638
- +
Product Description
Catalog Number:
AG003D9M
Chemical Name:
Octafluorotoluene
CAS Number:
434-64-0
Molecular Formula:
C7F8
Molecular Weight:
236.0621
MDL Number:
MFCD00000375
IUPAC Name:
1,2,3,4,5-pentafluoro-6-(trifluoromethyl)benzene
InChI:
InChI=1S/C7F8/c8-2-1(7(13,14)15)3(9)5(11)6(12)4(2)10
InChI Key:
USPWUOFNOTUBAD-UHFFFAOYSA-N
SMILES:
Fc1c(F)c(F)c(c(c1F)C(F)(F)F)F
EC Number:
207-104-7
NSC Number:
88302
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.987g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.064g/mol
Monoisotopic Mass:
235.987g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Modified perfluorocarbon tracer method for measuring effective multizone air exchange rates. International journal of environmental research and public health 20100901
C-F activation of fluorinated arenes using NHC-stabilized nickel(0) complexes: selectivity and mechanistic investigations. Journal of the American Chemical Society 20080723
Catalytic C-C bond formation accomplished by selective C-F activation of perfluorinated arenes. Journal of the American Chemical Society 20061220
Synthesis and reactivity of low-coordinate iron(II) fluoride complexes and their use in the catalytic hydrodefluorination of fluorocarbons. Journal of the American Chemical Society 20050601
Anesthetic and convulsant properties of aromatic compounds and cycloalkanes: implications for mechanisms of narcosis. Anesthesia and analgesia 19961101
Properties