Home Nitriles 2-(Trifluoromethyl)benzonitrile

2-(Trifluoromethyl)benzonitrile

CAS No.:
447-60-9
Catalog Number:
AG003F5K
Molecular Formula:
C8H4F3N
Molecular Weight:
171.1193
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$23
- +
100g
98%
In Stock USA
United States
$87
- +
500g
98%
In Stock USA
United States
$425
- +
Product Description
Catalog Number:
AG003F5K
Chemical Name:
2-(Trifluoromethyl)benzonitrile
CAS Number:
447-60-9
Molecular Formula:
C8H4F3N
Molecular Weight:
171.1193
MDL Number:
MFCD00001791
IUPAC Name:
2-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H4F3N/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4H
InChI Key:
SOZGHDCEWOLLHV-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1C(F)(F)F
EC Number:
207-184-3
UNII:
S2CA842543
NSC Number:
88312
Properties
Complexity:
200  
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:
2.7  
Literature
Title Journal
Electron attachment and detachment: electron affinities of isomers of trifluoromethylbenzonitrile. The Journal of chemical physics 20041122
Properties