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Home Nitriles Pentafluorobenzonitrile

Pentafluorobenzonitrile

CAS No.:
773-82-0
Catalog Number:
AG0035GH
Molecular Formula:
C7F5N
Molecular Weight:
193.0736
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
99%(GC)
In Stock USA
United States
$40
- +
25g
99%(GC)
In Stock USA
United States
$60
- +
100g
99%(GC)
In Stock USA
United States
$144
- +
500g
99%(GC)
In Stock USA
United States
$607
- +
Product Description
Catalog Number:
AG0035GH
Chemical Name:
Pentafluorobenzonitrile
CAS Number:
773-82-0
Molecular Formula:
C7F5N
Molecular Weight:
193.0736
MDL Number:
MFCD00001775
IUPAC Name:
2,3,4,5,6-pentafluorobenzonitrile
InChI:
InChI=1S/C7F5N/c8-3-2(1-13)4(9)6(11)7(12)5(3)10
InChI Key:
YXWJGZQOGXGSSC-UHFFFAOYSA-N
SMILES:
N#Cc1c(F)c(F)c(c(c1F)F)F
EC Number:
212-259-9
NSC Number:
88294
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.995g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.076g/mol
Monoisotopic Mass:
192.995g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Chemoselectivity diversity in the reaction of LiNC6F5SiMe3 with nitriles and the synthesis, structure, and reactivity of zirconium mono- and tris[2-(2-pyridyl)tetrafluorobenzimidazolate] complexes. Inorganic chemistry 20101018
Electron capture by pentafluoronitrobenzene and pentafluorobenzonitrile. Physical chemistry chemical physics : PCCP 20080321
Reactions of (PCP)Ru(CO)(NHPh)(PMe3) (PCP = 2,6-(CH2PtBu2)2C6H3) with substrates that possess polar bonds. Inorganic chemistry 20050418
Properties