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Home Nitriles 4-(Trifluoromethyl)benzonitrile

4-(Trifluoromethyl)benzonitrile

CAS No.:
455-18-5
Catalog Number:
AG003NRH
Molecular Formula:
C8H4F3N
Molecular Weight:
171.1193
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG003NRH
Chemical Name:
4-(Trifluoromethyl)benzonitrile
CAS Number:
455-18-5
Molecular Formula:
C8H4F3N
Molecular Weight:
171.1193
MDL Number:
MFCD00001826
IUPAC Name:
4-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H4F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H
InChI Key:
DRNJIKRLQJRKMM-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(F)(F)F
EC Number:
207-239-1
NSC Number:
88340
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.03g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.122g/mol
Monoisotopic Mass:
171.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
4-(Morpholin-4-yl)-3-(trifluoro-meth-yl)-benzonitrile. Acta crystallographica. Section E, Structure reports online 20110701
(Z)-N'-Hy-droxy-4-(trifluoro-meth-yl)benzimidamide. Acta crystallographica. Section E, Structure reports online 20110401
Oxidative reactions of tetrametal Pd(0)...Mo(II)-Mo(II)...Pd(0) clusters: electrochemical communication of two Pd(0) centers through the Mo(2) moiety and oxidative formation of a Pd(I)-Mo(II)-Mo(II)-Pd(I) array. Inorganic chemistry 20090302
[Improved method of fluvoxamine synthesis]. Zhejiang da xue xue bao. Yi xue ban = Journal of Zhejiang University. Medical sciences 20031001
4-(Trifluoromethyl)benzonitrile. Acta crystallographica. Section C, Crystal structure communications 20020201
Properties