4-Pyrimidinecarboxaldehyde


Chemical Name: 4-Pyrimidinecarboxaldehyde
CAS Number: 2435-50-9
Product Number: AG0035JW(AGN-PC-008LFK)
Synonyms:
MDL No:
Molecular Formula: C5H4N2O
Molecular Weight: 108.0981

Identification/Properties


Properties
MP:
93 °C
BP:
225.3°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Liquid
Computed Properties
Molecular Weight:
108.1g/mol
XLogP3:
-0.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
108.032g/mol
Monoisotopic Mass:
108.032g/mol
Topological Polar Surface Area:
42.8A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
84.5
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:
P280-P302+P352-P304+P340-P305+P351+P338-P312
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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