3-Pyridinecarbonitrile


Chemical Name: 3-Pyridinecarbonitrile
CAS Number: 100-54-9
Product Number: AG00007C(AGN-PC-008LFI)
Synonyms:
MDL No:
Molecular Formula: C6H4N2
Molecular Weight: 104.1094

Identification/Properties


Properties
MP:
48-52 °C
BP:
203°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.5242 (estimate)
Solubility:
140g/l
Computed Properties
Molecular Weight:
104.112g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
104.037g/mol
Monoisotopic Mass:
104.037g/mol
Topological Polar Surface Area:
36.7A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
111
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-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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