4-[(4,6-dichloropyrimidin-2-yl)amino]benzonitrile


Chemical Name: 4-[(4,6-dichloropyrimidin-2-yl)amino]benzonitrile
CAS Number: 329187-59-9
Product Number: AG003K1Z(AGN-PC-07Y4I7)
Synonyms:
MDL No:
Molecular Formula: C11H6Cl2N4
Molecular Weight: 265.0981

Identification/Properties


Properties
MP:
>239ºC (dec.)
BP:
468.9±55.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
265.097g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
263.997g/mol
Monoisotopic Mass:
263.997g/mol
Topological Polar Surface Area:
61.6A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
285
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-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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