2-(3,4,5-trifluorophenyl)acetonitrile


Chemical Name: 2-(3,4,5-trifluorophenyl)acetonitrile
CAS Number: 220228-03-5
Product Number: AG003BAU(AGN-PC-0KKYL0)
Synonyms:
MDL No:
Molecular Formula: C8H4F3N
Molecular Weight: 171.1193

Identification/Properties


Properties
MP:
30-32°C
BP:
214.1°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
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:
Warning
UN#:
N/A
Hazard Statements:
H302+H312+H332-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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