1H-Pyrazole-4-carbonitrile


Chemical Name: 1H-Pyrazole-4-carbonitrile
CAS Number: 31108-57-3
Product Number: AG0032RX(AGN-PC-0JSYTG)
Synonyms:
MDL No:
Molecular Formula: C4H3N3
Molecular Weight: 93.0867

Identification/Properties


Properties
MP:
89 - 90 °C
BP:
317.4°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
93.089g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
93.033g/mol
Monoisotopic Mass:
93.033g/mol
Topological Polar Surface Area:
52.5A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
101
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
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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