1H-Pyrazole-4-carbonitrile, 5-amino-1-(4-chlorophenyl)-


Chemical Name: 1H-Pyrazole-4-carbonitrile, 5-amino-1-(4-chlorophenyl)-
CAS Number: 51516-67-7
Product Number: AG003MCC(AGN-PC-0JU6MI)
Synonyms:
MDL No:
Molecular Formula: C10H7ClN4
Molecular Weight: 218.6424

Identification/Properties


Properties
MP:
169-173 °C
BP:
424.2°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
218.644g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
218.036g/mol
Monoisotopic Mass:
218.036g/mol
Topological Polar Surface Area:
67.6A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
266
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:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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