1H-Pyrazole-4-carboxaldehyde


Chemical Name: 1H-Pyrazole-4-carboxaldehyde
CAS Number: 35344-95-7
Product Number: AG0035UR(AGN-PC-0LN5QH)
Synonyms:
MDL No:
Molecular Formula: C4H4N2O
Molecular Weight: 96.0874

Identification/Properties


Properties
MP:
82 - 83 °C
BP:
300°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
96.089g/mol
XLogP3:
-0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
96.032g/mol
Monoisotopic Mass:
96.032g/mol
Topological Polar Surface Area:
45.8A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
74.1
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-H332-H335
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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