Benzonitrile,4-iodo-3-(trifluoromethyl)-


Chemical Name: Benzonitrile,4-iodo-3-(trifluoromethyl)-
CAS Number: 161320-00-9
Product Number: AG001SCD(AGN-PC-0Q81Z3)
Synonyms:
MDL No:
Molecular Formula: C8H3F3IN
Molecular Weight: 297.0158

Identification/Properties


Properties
MP:
92-99 °C
BP:
271℃
Storage:
2-8℃;Light sensitive;
Form:
Solid
Computed Properties
Molecular Weight:
297.019g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
296.926g/mol
Monoisotopic Mass:
296.926g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
229
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#:
-
Hazard Statements:
H302-H319
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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