2-(2,4,6-trifluorophenyl)acetonitrile


Chemical Name: 2-(2,4,6-trifluorophenyl)acetonitrile
CAS Number: 220227-80-5
Product Number: AG003B4E(AGN-PC-0KKYKZ)
Synonyms:
MDL No:
Molecular Formula: C8H4F3N
Molecular Weight: 171.1193

Identification/Properties


Properties
BP:
202°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
171.122g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
171.03g/mol
Monoisotopic Mass:
171.03g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
186
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3276
Hazard Statements:
H302-H312-H315-H319-H331-H335
Precautionary Statements:
P261-P280-P305+P351+P338-P311
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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